From 03a7837b55ca11cf0e590df553213b6fccc4ad75 Mon Sep 17 00:00:00 2001
From: shk3 <shk3@eb4e18e3-b210-0410-a6ab-dec725e4b171>
Date: Tue, 7 Mar 2006 12:46:17 +0000
Subject: [PATCH] merge with jcp21

git-svn-id: https://cdk.svn.sourceforge.net/svnroot/cdk/trunk/cdk@5783 eb4e18e3-b210-0410-a6ab-dec725e4b171
---
 EditorApplet.html                             |    1 +
 .../openscience/cdk/tools/LoggingTool.java    |  256 +++
 build-applet.xml                              |   24 +-
 build.props                                   |    4 +-
 build.xml                                     |    4 +-
 jar/jh.jar                                    |  Bin 503142 -> 0 bytes
 src/META-INF/applet-editor-opts.files         |   19 +
 src/META-INF/applet-editor.files              |  205 +-
 src/META-INF/jchempaint.application.datafiles |    4 +-
 src/data/mdl/big.mol                          |  183 +-
 src/org/openscience/cdk/Atom.java             |   37 +-
 .../applications/jchempaint/DrawingPanel.java |   13 +-
 .../jchempaint/JChemPaintEditorPanel.java     |   15 +-
 .../jchempaint/JChemPaintModel.java           |   12 +-
 .../jchempaint/JChemPaintPanel.java           |   39 +-
 .../jchempaint/action/AddHydrogenAction.java  |    3 +
 .../jchempaint/action/ChemAction.java         |    2 +-
 .../jchempaint/action/CleanupAction.java      |    5 +-
 .../jchempaint/action/CopyPasteAction.java    |    2 +-
 .../jchempaint/action/EditAction.java         |    7 +
 .../jchempaint/action/FlipAction.java         |    4 +-
 .../jchempaint/action/HelpAction.java         |   21 +-
 .../jchempaint/action/SaveAsAction.java       |    2 +
 .../jchempaint/action/ZoomAction.java         |    3 +
 .../jchempaint/applet/AppletCanvas.java       |    2 +-
 .../applet/JChemPaintAbstractApplet.java      |  134 +-
 .../applet/JChemPaintEditorApplet.java        |   32 +-
 .../applet/JChemPaintViewerOnlyApplet.java    |    3 +-
 .../jchempaint/dialogs/HelpDialog.java        |  269 +++
 .../jchempaint/dialogs/JavaHelpDialog.java    |   73 -
 .../jchempaint/dialogs/LicenseDialog.java     |   34 +-
 .../resources/text/JCPBundle.properties       |    1 +
 .../resources/text/JCPBundle_de.properties    |    1 +
 .../resources/text/JCPBundle_es.properties    |    2 +
 .../resources/text/JCPGUI_applet.properties   |    2 +-
 .../text/JCPGUI_experimental.properties       |    2 +-
 .../resources/text/JCPGUI_macie.properties    |    2 +-
 .../resources/text/JCPGUI_stable.properties   |    5 +-
 .../text/JChemPaintResources.properties       |    3 +
 .../userhelp_jcp/contain/button.html          |   10 +-
 .../resources/userhelp_jcp/contain/menu.html  |   17 +
 .../userhelp_jcp/contain/menuEdit.html        |    6 +
 .../userhelp_jcp/contain/menuInsert.html      |   12 -
 .../userhelp_jcp/contain/menuView.html        |    4 +
 .../userhelp_jcp/contain/molecules.html       |   23 +-
 .../userhelp_jcp/contain/moveButtons.html     |    4 +-
 .../userhelp_jcp/contain/otherButtons.html    |    9 +
 .../applications/swing/JExternalFrame.java    |    4 +
 .../swing/MoleculeListViewer.java             |   47 +-
 .../applications/swing/MoleculeViewer2D.java  |    2 +-
 .../undoredo/AddAtomsAndBondsEdit.java        |    9 +-
 .../applications/undoredo/BondChangeEdit.java |    5 +-
 .../applications/undoredo/ClearAllEdit.java   |   63 +
 .../undoredo/MergeMoleculesEdit.java          |  117 ++
 .../applications/undoredo/MoveAtomEdit.java   |   92 +
 .../cdk/config/AtomTypeFactory.java           |    8 +-
 .../cdk/controller/AbstractController2D.java  | 1720 +++++++++--------
 .../cdk/controller/Controller2DModel.java     |    2 +-
 .../openscience/cdk/geometry/BondTools.java   |   48 +-
 .../cdk/geometry/GeometryTools.java           |   40 +-
 src/org/openscience/cdk/io/MDLWriter.java     |    3 +-
 src/org/openscience/cdk/io/SVGWriter.java     |    2 +-
 .../openscience/cdk/io/cml/ChemFileCDO.java   |    1 -
 .../UniversalIsomorphismTester.java           |    2 +-
 .../matchers/QueryAtomContainerCreator.java   |    2 +-
 .../openscience/cdk/layout/AtomPlacer.java    |    3 +-
 .../modeling/builder3d/TemplateHandler3D.java |   10 +-
 .../RotatableBondsCountDescriptor.java        |    2 +-
 .../cdk/renderer/AbstractRenderer2D.java      |   11 +-
 .../openscience/cdk/renderer/Renderer2D.java  |   41 +-
 .../cdk/renderer/Renderer2DModel.java         |   24 +-
 .../cdk/renderer/SimpleRenderer2D.java        |   24 +-
 .../openscience/cdk/smiles/SmilesParser.java  |    7 +-
 .../test/fingerprint/FingerprinterTest.java   |    7 +
 .../builder3d/ModelBuilder3dTest.java         |    5 +-
 .../cdk/test/renderer/Renderer2DTest.java     |    4 +-
 .../RandomStructureGeneratorTest.java         |   36 +-
 .../cdk/test/tools/MFAnalyserTest.java        |    8 +
 src/org/openscience/cdk/tools/MFAnalyser.java |   38 +-
 79 files changed, 2509 insertions(+), 1393 deletions(-)
 create mode 100644 applet/org/openscience/cdk/tools/LoggingTool.java
 delete mode 100644 jar/jh.jar
 create mode 100755 src/org/openscience/cdk/applications/jchempaint/dialogs/HelpDialog.java
 delete mode 100644 src/org/openscience/cdk/applications/jchempaint/dialogs/JavaHelpDialog.java
 create mode 100644 src/org/openscience/cdk/applications/undoredo/ClearAllEdit.java
 create mode 100644 src/org/openscience/cdk/applications/undoredo/MergeMoleculesEdit.java
 create mode 100644 src/org/openscience/cdk/applications/undoredo/MoveAtomEdit.java

diff --git a/EditorApplet.html b/EditorApplet.html
index 518ccf11b08..62aac268e5a 100755
--- a/EditorApplet.html
+++ b/EditorApplet.html
@@ -14,6 +14,7 @@ <h2>
 <param name="load" value="src/data/mdl/a-pinene.mol">
 </applet>
 <a href="javascript:alert(document.Editor.getMolFile())">show mol file</a>
+<a href="javascript:document.Editor.clear()">clear</a>
 <blockquote>
 <hr>
 
diff --git a/applet/org/openscience/cdk/tools/LoggingTool.java b/applet/org/openscience/cdk/tools/LoggingTool.java
new file mode 100644
index 00000000000..88fef3a6e4b
--- /dev/null
+++ b/applet/org/openscience/cdk/tools/LoggingTool.java
@@ -0,0 +1,256 @@
+/* $RCSfile$
+ * $Author$
+ * $Date$
+ * $Revision$
+ *
+ * Copyright (C) 2001-2005  The Chemistry Development Kit (CDK) project
+ *
+ * Contact: cdk-devel@lists.sourceforge.net
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
+ */
+package org.openscience.cdk.tools;
+
+import java.io.BufferedReader;
+import java.io.InputStream;
+import java.io.PrintWriter;
+import java.io.StringReader;
+import java.net.URL;
+import java.util.Properties;
+
+/**
+ * Useful for logging messages. Often used as a class static variable instantiated like:
+ * <pre>
+ * private static org.openscience.cdk.tools.LoggingTool logger = new LoggingTool(ThisClass.class.getName(), true);
+ * </pre>
+ *
+ * <p>Uses log4j as a backend if available, and System.out otherwise.
+ *
+ * <p>Jmol version of LoggingTool.
+ *
+ * @cdk.module standard
+ */
+public class LoggingTool {
+
+    private boolean debug = false;
+    private boolean tostdout = true;
+
+    private String classname;
+    
+    /** Default number of StackTraceElements to be printed by debug(Exception) */
+    private final int DEFAULT_STACK_LENGTH = 5;
+     
+    private int stackLength = DEFAULT_STACK_LENGTH;
+
+    public LoggingTool() {
+    }
+
+    public LoggingTool(Object object) {
+    }
+    
+    public LoggingTool(Class classInst) {
+    }
+
+    public static void configureLog4j() {
+    }
+    	
+    public void dumpSystemProperties() {
+        debug("os.name        : " + System.getProperty("os.name"));
+        debug("os.version     : " + System.getProperty("os.version"));
+        debug("os.arch        : " + System.getProperty("os.arch"));
+        debug("java.version   : " + System.getProperty("java.version"));
+        debug("java.vendor    : " + System.getProperty("java.vendor"));
+    }
+
+    /**
+     * Sets the number of StackTraceElements to be printed in DEBUG mode.
+     * Defaults to DEFAULT_STACK_LENGTH.
+     */
+    public void setStackLength(int length) {
+        this.stackLength = length;
+    }
+    
+    public void dumpClasspath() {
+        debug("java.class.path: " + System.getProperty("java.class.path"));
+    }
+
+    /**
+     * Shows debug output for the Object. If the object is an instanceof
+     * Throwable it will output the trace. Otherwise it will use the
+     * toString() method.
+     */
+    public void debug(Object object) {
+    }
+    
+    private void debugString(String string) {
+    }
+    
+    public void debug(Object object, Object object2) {
+    }
+    
+    public void debug(Object object, int number) {
+    }
+    
+    public void debug(Object object, double number) {
+    }
+    
+    public void debug(Object obj, Object obj2, Object obj3) {
+    }
+    
+    public void debug(Object obj, Object obj2, Object obj3, Object obj4) {
+    }
+    
+    public void debug(Object obj, Object obj2, Object obj3, Object obj4, Object obj5) {
+    }
+    
+    private void debugThrowable(Throwable problem) {
+    }
+    
+    public void error(Object object) {
+        if (debug) {
+            errorString(object.toString());
+        }
+    }
+
+    public void error(Object object, int number) {
+        if (debug) {
+            errorString(object.toString() + number);
+        }
+    }
+    
+    public void error(Object object, double number) {
+        if (debug) {
+            errorString(object.toString() + number);
+        }
+    }
+    
+    private void errorString(String string) {
+        toSTDOUT("ERROR", string);
+    }
+    
+    public void error(Object object, Object object2) {
+        if (debug) {
+            errorString(object.toString() + object2.toString());
+        }
+    }
+    
+    public void error(Object obj, Object obj2, Object obj3) {
+        if (debug) {
+            errorString(obj.toString() + obj2.toString() + obj3.toString());
+        }
+    }
+    
+    public void error(Object obj, Object obj2, Object obj3, Object obj4) {
+        if (debug) {
+            errorString(obj.toString() + obj2.toString() + obj3.toString() +
+                  obj4.toString());
+        }
+    }
+    
+    public void error(Object obj, Object obj2, Object obj3, Object obj4, Object obj5) {
+        if (debug) {
+            errorString(obj.toString() + obj2.toString() + obj3.toString() +
+                  obj4.toString() + obj5.toString());
+        }
+    }
+    
+    public void fatal(Object object) {
+        toSTDOUT("FATAL", object.toString());
+    }
+
+    public void info(Object object) {
+        if (debug) {
+            infoString(object.toString());
+        }
+    }
+
+    public void info(Object object, int number) {
+        if (debug) {
+            infoString(object.toString() + number);
+        }
+    }
+    
+    public void info(Object object, double number) {
+        if (debug) {
+            infoString(object.toString() + number);
+        }
+    }
+    
+    private void infoString(String string) {
+        toSTDOUT("INFO", string);
+    }
+    
+    public void info(Object object, Object object2) {
+        if (debug) {
+            infoString(object.toString() + object2.toString());
+        }
+    }
+    
+    public void info(Object obj, Object obj2, Object obj3) {
+        if (debug) {
+            infoString(obj.toString() + obj2.toString() + obj3.toString());
+        }
+    }
+    
+    public void info(Object obj, Object obj2, Object obj3, Object obj4) {
+        if (debug) {
+            infoString(obj.toString() + obj2.toString() + obj3.toString() +
+                  obj4.toString());
+        }
+    }
+    
+    public void info(Object obj, Object obj2, Object obj3, Object obj4, Object obj5) {
+        if (debug) {
+            infoString(obj.toString() + obj2.toString() + obj3.toString() +
+                  obj4.toString() + obj5.toString());
+        }
+    }
+    public void warn(Object object) {
+    }
+    
+    private void warnString(String string) {
+    }
+    
+    public void warn(Object object, int number) {
+    }
+    
+    public void warn(Object object, double number) {
+    }
+    
+    public void warn(Object object, Object object2) {
+    }
+    
+    public void warn(Object obj, Object obj2, Object obj3) {
+    }
+    
+    public void warn(Object obj, Object obj2, Object obj3, Object obj4) {
+    }
+    
+    public void warn(Object obj, Object obj2, Object obj3, Object obj4, Object obj5) {
+    }
+
+    public boolean isDebugEnabled() {
+        return debug;
+    }
+    
+    private void toSTDOUT(String level, String message) {
+        System.out.print(classname);
+        System.out.print(" ");
+        System.out.print(level);
+        System.out.print(": ");
+        System.out.println(message);
+    }
+
+}
\ No newline at end of file
diff --git a/build-applet.xml b/build-applet.xml
index 9b24582a73c..0e2f0e408a9 100644
--- a/build-applet.xml
+++ b/build-applet.xml
@@ -45,6 +45,11 @@
 			</sequential>
 		</macrodef>
 
+<!--                <echo message="Compiling applet logging tool org/openscience/cdk/tools/LoggingTool.java to ${appjars.dir}"/>
+                <delete file="${appjars.dir}/org/openscience/cdk/tools/LoggingTool.class"/>
+                <javac srcdir="applet" destdir="${appjars.dir}" optimize="${optimization}" debug="${debug}" deprecation="${deprecation}" target="1.3" source="1.3">
+                </javac>-->
+
 		<jar-from-list destfile="${dist}/jar/jchempaint-applet-viewer-opts.jar" includesfile="${metainf}/applet-viewer-opts.files"/>
 		<jar-from-list destfile="${dist}/jar/jchempaint-applet-editor.jar" includesfile="${metainf}/applet-editor.files"/>
 		<jar-from-list destfile="${dist}/jar/jchempaint-applet-editor-opts.jar" includesfile="${metainf}/applet-editor-opts.files"/>
@@ -52,6 +57,24 @@
 		<!-- the following jar files are packed from directory patterns -->
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_applications_jchempaint.jar" includepattern="org/openscience/cdk/applications/jchempaint/**"/>
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_applications.jar" includepattern="org/openscience/cdk/applications/**"/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_config.jar" includepattern="org/openscience/cdk/config/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_dict.jar" includepattern="org/openscience/cdk/dict/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_io.jar" includepattern="org/openscience/cdk/io/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_qsar.jar" includepattern="org/openscience/cdk/qsar/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_iupac.jar" includepattern="org/openscience/cdk/iupac/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_math.jar" includepattern="org/openscience/cdk/math/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_tools.jar" includepattern="org/openscience/cdk/tools/**"
+/>
+                <jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk_structgen.jar" includepattern="org/openscience/cdk/structgen/**"
+/>
+
+
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience_cdk.jar" includepattern="org/openscience/cdk/**"/>
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_openscience.jar" includepattern="org/openscience/**"/>
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-org_3pq.jar" includepattern="org/_3pq/**"/>
@@ -71,7 +94,6 @@
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-javax_xml.jar" includepattern="javax/xml/**"/>
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-jumbo.jar" includepattern="jumbo/**"/>
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-nu.jar" includepattern="nu/**"/>
-		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-uk.jar" includepattern="uk/**"/>
 		<!-- the following jar contains all other classes and resources -->
 		<jar-from-pattern destfile="${dist}/jar/jchempaint-applet-others.jar" includepattern="**/*"/>
 		<!-- the main jar file is packed from a list, but it must be packed as last file because it contains INDEX.LIST -->
diff --git a/build.props b/build.props
index 6b5927a32d0..269a14a37c3 100644
--- a/build.props
+++ b/build.props
@@ -1,2 +1,2 @@
-version=cvs.post.20050826
-jcp.version=2.1.5
+version=cvs.20060303
+jcp.version=2.2.0
diff --git a/build.xml b/build.xml
index a81d602f63d..74651ce5c5d 100755
--- a/build.xml
+++ b/build.xml
@@ -468,7 +468,7 @@
             
             <!-- ok, now that we have a copy, compile this copy -->
             <javac srcdir="${build.src}" destdir="${build}" optimize="${optimization}" 
-                    debug="${debug}" deprecation="${deprecation}">
+                    debug="${debug}" deprecation="${deprecation}" target="1.3" source="1.3">
                 <classpath>
                     <fileset dir="${lib}" >
                         <exclude name="**/*" unless="module.libdepends.present" />
@@ -846,7 +846,7 @@
         <target id="run-test" name="run-test" depends="dist-all" 
                 description="Runs one specific JUnit test suite (org.openscience.cdk.test.&lt;class>) as a standalone application with -Dtestclass=&lt;class>.">
                 <echo message="Running test class: testclass=${testclass}"/>
-                <java classname="org.openscience.cdk.test.${testclass}" fork="yes">
+                <java classname="org.openscience.cdk.test.${testclass}" fork="yes" maxmemory="512m">
                     <jvmarg value="-Dcdk.debugging=true"/>
                     <classpath>
                         <fileset dir="${dist}/jar/">
diff --git a/jar/jh.jar b/jar/jh.jar
deleted file mode 100644
index fd83ec075d9d3d9a18cf6dd520e02a89dd81f031..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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diff --git a/src/META-INF/applet-editor-opts.files b/src/META-INF/applet-editor-opts.files
index 3eac513d3ac..c6bdffd3b61 100644
--- a/src/META-INF/applet-editor-opts.files
+++ b/src/META-INF/applet-editor-opts.files
@@ -284,3 +284,22 @@ org/openscience/cdk/validate/ValidatorInterface.class
 org/xml/sax/ext/Attributes2.class
 org/xml/sax/ext/DefaultHandler2.class
 org/xml/sax/ext/EntityResolver2.class
+org/openscience/cdk/config/ElementPTFactory.class
+org/openscience/cdk/config/elements/ElementPTReader.class
+org/openscience/cdk/config/elements/ElementPTHandler.class
+org/openscience/cdk/PeriodicTableElement.class
+org/openscience/cdk/config/elements/ElementPTReader.class
+org/openscience/cdk/config/elements/ElementPTHandler.class
+org/openscience/cdk/applications/swing/PeriodicTablePanel$BackAction.class
+org/openscience/cdk/isomorphism/matchers/QueryBond.class
+org/openscience/cdk/applications/undoredo/ChangeCoordsEdit.class
+org/openscience/cdk/applications/undoredo/ChangeAtomSymbolEdit.class
+org/openscience/cdk/applications/undoredo/CleanUpEdit.class
+org/openscience/cdk/applications/swing/periodicTable_Mendeleev.jpg
+org/openscience/cdk/config/CDKBasedAtomTypeConfigurator.class
+org/openscience/cdk/config/atomtypes/AtomTypeReader.class
+org/openscience/cdk/config/atomtypes/AtomTypeHandler.class
+org/openscience/cdk/config/AtomTypeConfigurator.class
+org/openscience/cdk/config/data/chemicalElements.xml
+org/openscience/cdk/config/data/structgen_atomtypes.xml
+
diff --git a/src/META-INF/applet-editor.files b/src/META-INF/applet-editor.files
index 74170eb2ca7..0e802edeeb7 100644
--- a/src/META-INF/applet-editor.files
+++ b/src/META-INF/applet-editor.files
@@ -1,23 +1,15 @@
-gnu/xml/aelfred2/JAXPFactory.class
-gnu/xml/aelfred2/JAXPFactory$JaxpParser.class
-gnu/xml/aelfred2/SAXDriver.class
-gnu/xml/aelfred2/XmlParser.class
-gnu/xml/aelfred2/XmlReader.class
-gnu/xml/pipeline/EventConsumer.class
-gnu/xml/pipeline/EventFilter.class
-gnu/xml/pipeline/NSFilter.class
-gnu/xml/pipeline/ValidationConsumer.class
-gnu/xml/pipeline/WellFormednessFilter.class
-gnu/xml/pipeline/XIncludeFilter.class
 javax/vecmath/Point2d.class
 javax/vecmath/Point2f.class
 javax/vecmath/Point3d.class
+javax/vecmath/Point3f.class
+javax/vecmath/Point4d.class
 javax/vecmath/Tuple2d.class
 javax/vecmath/Tuple2f.class
 javax/vecmath/Tuple3d.class
+javax/vecmath/Tuple3f.class
+javax/vecmath/Tuple4d.class
 javax/vecmath/Vector2d.class
 javax/vecmath/Vector2f.class
-META-INF/services/javax.xml.parsers.SAXParserFactory
 org/_3pq/jgrapht/alg/ConnectivityInspector.class
 org/_3pq/jgrapht/alg/ConnectivityInspector$MyTraversalListener.class
 org/_3pq/jgrapht/DirectedGraph.class
@@ -68,34 +60,21 @@ org/openscience/cdk/applications/jchempaint/action/ChangeAtomSymbolAction.class
 org/openscience/cdk/applications/jchempaint/action/ChangeIsotopeAction.class
 org/openscience/cdk/applications/jchempaint/action/ChemAction.class
 org/openscience/cdk/applications/jchempaint/action/CleanupAction.class
-org/openscience/cdk/applications/jchempaint/action/CloseAction.class
 org/openscience/cdk/applications/jchempaint/action/ConvertToPseudoAtomAction.class
-org/openscience/cdk/applications/jchempaint/action/ConvertToRadicalAction.class
-org/openscience/cdk/applications/jchempaint/action/CopyPasteAction.class
 org/openscience/cdk/applications/jchempaint/action/CreateReactionAction.class
 org/openscience/cdk/applications/jchempaint/action/CreateSmilesAction.class
 org/openscience/cdk/applications/jchempaint/action/EditAction.class
 org/openscience/cdk/applications/jchempaint/action/EditChemObjectPropsAction.class
-org/openscience/cdk/applications/jchempaint/action/ExitAction.class
-org/openscience/cdk/applications/jchempaint/action/ExportAction.class
-org/openscience/cdk/applications/jchempaint/action/ExportCompChemAction.class
+org/openscience/cdk/applications/jchempaint/action/ElementAction.class
 org/openscience/cdk/applications/jchempaint/action/FlipAction.class
-org/openscience/cdk/applications/jchempaint/action/HelpAction.class
-org/openscience/cdk/applications/jchempaint/action/InfoAction.class
 org/openscience/cdk/applications/jchempaint/action/InsertSmilesAction.class
 org/openscience/cdk/applications/jchempaint/action/JCPAction.class
 org/openscience/cdk/applications/jchempaint/action/LicenseAction.class
 org/openscience/cdk/applications/jchempaint/action/MenuBarAction.class
 org/openscience/cdk/applications/jchempaint/action/ModelPropsAction.class
 org/openscience/cdk/applications/jchempaint/action/ModifyDisplaySettingsAction.class
-org/openscience/cdk/applications/jchempaint/action/ModifyGeneralSettingsAction.class
 org/openscience/cdk/applications/jchempaint/action/NewAction.class
-org/openscience/cdk/applications/jchempaint/action/OpenAction.class
-org/openscience/cdk/applications/jchempaint/action/PreferencesAction.class
-org/openscience/cdk/applications/jchempaint/action/PrintAction.class
 org/openscience/cdk/applications/jchempaint/action/RedoAction.class
-org/openscience/cdk/applications/jchempaint/action/SaveAction.class
-org/openscience/cdk/applications/jchempaint/action/SaveAsAction.class
 org/openscience/cdk/applications/jchempaint/action/StatusBarAction.class
 org/openscience/cdk/applications/jchempaint/action/ToolBarAction.class
 org/openscience/cdk/applications/jchempaint/action/UndoAction.class
@@ -104,61 +83,16 @@ org/openscience/cdk/applications/jchempaint/action/ZoomAction.class
 org/openscience/cdk/applications/jchempaint/applet/JChemPaintAbstractApplet.class
 org/openscience/cdk/applications/jchempaint/applet/JChemPaintEditorApplet$1.class
 org/openscience/cdk/applications/jchempaint/applet/JChemPaintEditorApplet.class
-org/openscience/cdk/applications/jchempaint/dialogs/InfoDialog.class
-org/openscience/cdk/applications/jchempaint/dialogs/JavaHelpDialog.class
-org/openscience/cdk/applications/jchempaint/dialogs/PluginInfoDialog.class
 org/openscience/cdk/applications/jchempaint/dnd/JCPTransferHandler.class
 org/openscience/cdk/applications/jchempaint/DrawingPanel.class
-org/openscience/cdk/applications/jchempaint/io/JCPFileView.class
 org/openscience/cdk/applications/jchempaint/JChemPaintEditorPanel.class
 org/openscience/cdk/applications/jchempaint/JChemPaintMenuBar.class
 org/openscience/cdk/applications/jchempaint/JChemPaintModel.class
 org/openscience/cdk/applications/jchempaint/JChemPaintPanel.class
 org/openscience/cdk/applications/jchempaint/JChemPaintPopupMenu.class
+org/openscience/cdk/applications/jchempaint/JChemPaintViewerOnlyPanel.class
 org/openscience/cdk/applications/jchempaint/JCPLocalizationHandler.class
 org/openscience/cdk/applications/jchempaint/JCPPropertyHandler.class
-org/openscience/cdk/applications/jchempaint/resources/small-bin/benzene.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/benzene.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/bond.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/bond.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/cleanup.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/cleanup.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/down_bond.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/down_bond.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/element.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/element.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/eraser.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/eraser.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/heptagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/heptagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/hexagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/hexagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/lasso.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/lasso.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/min_one.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/min_one.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/move.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/move.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/octagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/octagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/pentagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/pentagon.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/plus_one.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/plus_one.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/square.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/square.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/symbol.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/symbol.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/triangle.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/triangle.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/up_bond.gif
-org/openscience/cdk/applications/jchempaint/resources/small-bin/up_bond.gif
-org/openscience/cdk/applications/jchempaint/resources/text/JChemPaintResources.properties
-org/openscience/cdk/applications/jchempaint/resources/text/JChemPaintResources.properties
-org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_de.properties
-org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle.properties
-org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_stable.properties
-org/openscience/cdk/applications/jchempaint/resources/text/JCPShort_Cuts.properties
 org/openscience/cdk/applications/jchempaint/StatusBar.class
 org/openscience/cdk/applications/jchempaint/StringHelper.class
 org/openscience/cdk/applications/jchempaint/ToolBarMaker$1.class
@@ -166,6 +100,7 @@ org/openscience/cdk/applications/jchempaint/ToolBarMaker.class
 org/openscience/cdk/applications/plugin/CDKEditBus.class
 org/openscience/cdk/applications/plugin/ICDKPlugin.class
 org/openscience/cdk/applications/plugin/CDKPluginManager.class
+org/openscience/cdk/applications/plugin/CDKPluginManager$PluginDialogAction.class
 org/openscience/cdk/applications/plugin/PluginClassLoader.class
 org/openscience/cdk/applications/swing/editor/AtomEditor.class
 org/openscience/cdk/applications/swing/editor/BondEditor.class
@@ -175,32 +110,15 @@ org/openscience/cdk/applications/swing/editor/ReactionEditor.class
 org/openscience/cdk/applications/swing/FieldTablePanel.class
 org/openscience/cdk/applications/swing/JExternalFrame.class
 org/openscience/cdk/applications/undoredo/AddAtomsAndBondsEdit.class
-org/openscience/cdk/applications/undoredo/AddHydrogenEdit.class
-org/openscience/cdk/applications/undoredo/AdjustBondOrdersEdit.class
 org/openscience/cdk/applications/undoredo/BondChangeEdit.class
-org/openscience/cdk/applications/undoredo/ChangeAtomSymbolEdit.class
-org/openscience/cdk/applications/undoredo/ChangeChargeEdit.class
-org/openscience/cdk/applications/undoredo/ChangeCoordsEdit.class
-org/openscience/cdk/applications/undoredo/ChangeIsotopeEdit.class
-org/openscience/cdk/applications/undoredo/CleanUpEdit.class
-org/openscience/cdk/applications/undoredo/ConvertToPseudoAtomEdit.class
-org/openscience/cdk/applications/undoredo/ConvertToRadicalEdit.class
-org/openscience/cdk/applications/undoredo/FlipEdit.class
-org/openscience/cdk/applications/undoredo/RemoveAtomsAndBondsEdit.class
 org/openscience/cdk/applications/undoredo/UndoAdapter.class
 org/openscience/cdk/Atom.class
 org/openscience/cdk/AtomContainer.class
 org/openscience/cdk/AtomType.class
 org/openscience/cdk/Bond.class
-org/openscience/cdk/ChemFile.class
 org/openscience/cdk/ChemModel.class
 org/openscience/cdk/ChemObject.class
-org/openscience/cdk/config/AtomTypeConfigurator.class
 org/openscience/cdk/config/AtomTypeFactory.class
-org/openscience/cdk/config/atomtypes/AtomTypeHandler.class
-org/openscience/cdk/config/atomtypes/AtomTypeReader.class
-org/openscience/cdk/config/CDKBasedAtomTypeConfigurator.class
-org/openscience/cdk/config/data/isotopes.xml
 org/openscience/cdk/config/IsotopeFactory.class
 org/openscience/cdk/config/isotopes/IsotopeHandler.class
 org/openscience/cdk/config/isotopes/IsotopeReader.class
@@ -210,40 +128,115 @@ org/openscience/cdk/controller/Controller2D.class
 org/openscience/cdk/controller/Controller2DModel.class
 org/openscience/cdk/controller/PopupController2D.class
 org/openscience/cdk/controller/SimpleController2D.class
-org/openscience/cdk/Crystal.class
+org/openscience/cdk/DefaultChemObjectBuilder.class
 org/openscience/cdk/ElectronContainer.class
 org/openscience/cdk/Element.class
 org/openscience/cdk/event/CDKChangeListener.class
 org/openscience/cdk/event/ChemObjectChangeEvent.class
 org/openscience/cdk/exception/CDKException.class
-org/openscience/cdk/exception/NoSuchAtomTypeException.class
 org/openscience/cdk/geometry/GeometryTools.class
 org/openscience/cdk/graph/BFSShortestPath.class
 org/openscience/cdk/graph/BFSShortestPath$MyBreadthFirstIterator.class
 org/openscience/cdk/graph/BiconnectivityInspector.class
-org/openscience/cdk/graph/ConnectivityChecker.class
 org/openscience/cdk/graph/MoleculeGraphs.class
-org/openscience/cdk/graph/PathTools.class
+org/openscience/cdk/interfaces/Atom.class
+org/openscience/cdk/interfaces/AtomContainer.class
+org/openscience/cdk/interfaces/AtomParity.class
+org/openscience/cdk/interfaces/AtomType.class
+org/openscience/cdk/interfaces/BioPolymer.class
+org/openscience/cdk/interfaces/Bond.class
+org/openscience/cdk/interfaces/ChemFile.class
+org/openscience/cdk/interfaces/ChemModel.class
+org/openscience/cdk/interfaces/ChemObjectBuilder.class
+org/openscience/cdk/interfaces/ChemObjectChangeEvent.class
+org/openscience/cdk/interfaces/ChemObject.class
+org/openscience/cdk/interfaces/ChemObjectListener.class
+org/openscience/cdk/interfaces/ChemSequence.class
+org/openscience/cdk/interfaces/Crystal.class
+org/openscience/cdk/interfaces/ElectronContainer.class
+org/openscience/cdk/interfaces/Element.class
+org/openscience/cdk/interfaces/Isotope.class
+org/openscience/cdk/interfaces/LonePair.class
+org/openscience/cdk/interfaces/Molecule.class
+org/openscience/cdk/interfaces/Monomer.class
+org/openscience/cdk/interfaces/Polymer.class
+org/openscience/cdk/interfaces/PseudoAtom.class
+org/openscience/cdk/interfaces/Reaction.class
+org/openscience/cdk/interfaces/Ring.class
+org/openscience/cdk/interfaces/RingSet.class
+org/openscience/cdk/interfaces/SetOfAtomContainers.class
+org/openscience/cdk/interfaces/SetOfMolecules.class
+org/openscience/cdk/interfaces/SetOfReactions.class
+org/openscience/cdk/interfaces/SingleElectron.class
+org/openscience/cdk/interfaces/Strand.class
 org/openscience/cdk/io/ChemObjectIO.class
 org/openscience/cdk/io/ChemObjectReader.class
-org/openscience/cdk/io/ChemObjectWriter.class
-org/openscience/cdk/io/CMLReader.class
 org/openscience/cdk/io/DefaultChemObjectReader.class
+org/openscience/cdk/io/formats/ABINITFormat.class
+org/openscience/cdk/io/formats/Aces2Format.class
+org/openscience/cdk/io/formats/ADFFormat.class
+org/openscience/cdk/io/formats/CACheFormat.class
+org/openscience/cdk/io/formats/ChemFormat.class
+org/openscience/cdk/io/formats/ChemFormatMatcher.class
+org/openscience/cdk/io/formats/CIFFormat.class
+org/openscience/cdk/io/formats/CMLFormat.class
+org/openscience/cdk/io/formats/CrystClustFormat.class
+org/openscience/cdk/io/formats/DaltonFormat.class
+org/openscience/cdk/io/formats/GamessFormat.class
+org/openscience/cdk/io/formats/Gaussian03Format.class
+org/openscience/cdk/io/formats/Gaussian90Format.class
+org/openscience/cdk/io/formats/Gaussian92Format.class
+org/openscience/cdk/io/formats/Gaussian94Format.class
+org/openscience/cdk/io/formats/Gaussian95Format.class
+org/openscience/cdk/io/formats/Gaussian98Format.class
+org/openscience/cdk/io/formats/GaussianInputFormat.class
+org/openscience/cdk/io/formats/GhemicalMMFormat.class
+org/openscience/cdk/io/formats/GhemicalSPMFormat.class
+org/openscience/cdk/io/formats/HINFormat.class
+org/openscience/cdk/io/formats/IChIFormat.class
+org/openscience/cdk/io/formats/INChIFormat.class
+org/openscience/cdk/io/formats/INChIPlainTextFormat.class
+org/openscience/cdk/io/formats/JaguarFormat.class
+org/openscience/cdk/io/formats/JMEFormat.class
+org/openscience/cdk/io/formats/MACiEFormat.class
+org/openscience/cdk/io/formats/MDLFormat.class
+org/openscience/cdk/io/formats/MDLRXNFormat.class
+org/openscience/cdk/io/formats/MDLRXNV3000Format.class
+org/openscience/cdk/io/formats/MDLV3000Format.class
+org/openscience/cdk/io/formats/Mol2Format.class
+org/openscience/cdk/io/formats/MOPAC2002Format.class
+org/openscience/cdk/io/formats/MOPAC7Format.class
+org/openscience/cdk/io/formats/MOPAC93Format.class
+org/openscience/cdk/io/formats/MOPAC97Format.class
+org/openscience/cdk/io/formats/NWChemFormat.class
+org/openscience/cdk/io/formats/PDBFormat.class
+org/openscience/cdk/io/formats/PMPFormat.class
+org/openscience/cdk/io/formats/QChemFormat.class
+org/openscience/cdk/io/formats/ShelXFormat.class
+org/openscience/cdk/io/formats/SMILESFormat.class
+org/openscience/cdk/io/formats/SpartanFormat.class
+org/openscience/cdk/io/formats/VASPFormat.class
+org/openscience/cdk/io/formats/XYZFormat.class
+org/openscience/cdk/io/formats/ZMatrixFormat.class
 org/openscience/cdk/io/listener/ChemObjectIOListener.class
 org/openscience/cdk/io/MDLReader.class
+org/openscience/cdk/io/ReaderFactory.class
+org/openscience/cdk/io/setting/BooleanIOSetting.class
+org/openscience/cdk/io/setting/IOSetting.class
 org/openscience/cdk/Isotope.class
-org/openscience/cdk/layout/AtomPlacer$1.class
-org/openscience/cdk/layout/AtomPlacer.class
-org/openscience/cdk/layout/RingPlacer.class
 org/openscience/cdk/LonePair.class
 org/openscience/cdk/Mapping.class
 org/openscience/cdk/Molecule.class
+org/openscience/cdkplugin/dirbrowser/DirBrowserPlugin.class
+org/openscience/cdkplugin/dirbrowser/DirBrowserPlugin$FileFormatGuessingThread.class
 org/openscience/cdk/PseudoAtom.class
 org/openscience/cdk/Reaction.class
+org/openscience/cdk/renderer/AbstractRenderer2D.class
 org/openscience/cdk/renderer/color/AtomColorer.class
 org/openscience/cdk/renderer/color/CDK2DAtomColors.class
 org/openscience/cdk/renderer/Renderer2D.class
 org/openscience/cdk/renderer/Renderer2DModel.class
+org/openscience/cdk/renderer/SimpleRenderer2D.class
 org/openscience/cdk/Ring.class
 org/openscience/cdk/ringsearch/cyclebasis/CycleBasis.class
 org/openscience/cdk/ringsearch/cyclebasis/SimpleCycleBasis$AuxiliaryGraph.class
@@ -254,6 +247,7 @@ org/openscience/cdk/RingSet.class
 org/openscience/cdk/SetOfAtomContainers.class
 org/openscience/cdk/SetOfMolecules.class
 org/openscience/cdk/SingleElectron.class
+org/openscience/cdk/smiles/SmilesGenerator.class
 org/openscience/cdk/tools/HydrogenAdder.class
 org/openscience/cdk/tools/LoggingTool.class
 org/openscience/cdk/tools/manipulator/AtomContainerManipulator.class
@@ -267,11 +261,10 @@ org/openscience/cdk/tools/ValencyChecker.class
 org/openscience/cdk/tools/ValencyCheckerInterface.class
 org/openscience/cdk/validate/ProblemMarker.class
 org/openscience/cdk/validate/ValidatorInterface.class
-org/xml/sax/ext/Attributes2.class
-org/xml/sax/ext/DefaultHandler2.class
-org/xml/sax/ext/EntityResolver2.class
-org/openscience/cdk/config/ElementPTFactory.class
-org/openscience/cdk/config/elements/ElementPTReader.class
-org/openscience/cdk/config/elements/ElementPTHandler.class
-org/openscience/cdk/PeriodicTableElement.class
-org/openscience/cdk/isomorphism/matchers/QueryBond.class
+sun/reflect/GeneratedConstructorAccessor1.class
+sun/reflect/GeneratedConstructorAccessor2.class
+sun/reflect/GeneratedMethodAccessor1.class
+sun/reflect/GeneratedMethodAccessor2.class
+sun/reflect/GeneratedMethodAccessor3.class
+sun/reflect/GeneratedMethodAccessor4.class
+sun/reflect/GeneratedMethodAccessor5.class
diff --git a/src/META-INF/jchempaint.application.datafiles b/src/META-INF/jchempaint.application.datafiles
index f6c38f9536e..b1691dbab0a 100755
--- a/src/META-INF/jchempaint.application.datafiles
+++ b/src/META-INF/jchempaint.application.datafiles
@@ -1 +1,3 @@
-org/openscience/cdk/applications/jchempaint/resources/**
+org/openscience/cdk/applications/jchempaint/resources/large-bin/**
+org/openscience/cdk/applications/jchempaint/resources/small-bin/**
+org/openscience/cdk/applications/jchempaint/resources/text/**
diff --git a/src/data/mdl/big.mol b/src/data/mdl/big.mol
index 1ed31633936..d41f53a7f53 100644
--- a/src/data/mdl/big.mol
+++ b/src/data/mdl/big.mol
@@ -1,166 +1,17 @@
- 
-  CDK
-NMRShiftDB 20061451 cubic.nmrshiftdb.org_mainz2_2005-05-18_12:23:35_0132
- 78 83  0  0  0  0  0  0  0  0999 V2000
-    0.6400   -1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.7100   -1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8200   -1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.9100   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6400   -1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.3700   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0900   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0000   -0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.2700   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6400   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5500   -0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5500   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8200   -1.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1900   -1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.4600   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7300   -1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9200   -1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.0100   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.3100   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.4800   -1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.8000   -1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.9900   -0.8600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1700   -0.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2500   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.5500   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.7300   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.7800   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.0000   -1.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.3100   -1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.4800   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.5700   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    4.7300   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    4.7800   -0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.8700   -0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.0000   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.6900   -0.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    4.4000   -2.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.2300   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.1400   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.0600   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    3.8500   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.9300   -3.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    4.0100   -2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.1000   -2.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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- 32 39  1  0  0  0  0 
- 31 40  1  0  0  0  0 
- 42 41  2  0  0  0  0 
- 43 42  1  0  0  0  0 
- 53 43  2  0  0  0  0 
- 52 44  1  0  0  0  0 
- 51 45  1  0  0  0  0 
- 48 46  1  0  0  0  0 
- 46 47  1  0  0  0  0 
- 45 48  1  0  0  0  0 
- 51 49  1  0  0  0  0 
- 49 50  1  0  0  0  0 
- 44 51  1  0  0  0  0 
- 43 52  1  0  0  0  0 
- 29 53  1  0  0  0  0 
- 28 54  1  0  0  0  0 
- 56 55  1  0  0  0  0 
- 57 56  2  0  0  0  0 
- 25 57  1  0  0  0  0 
- 59 58  1  0  0  0  0 
- 22 59  1  0  0  0  0 
- 21 60  1  0  0  0  0 
- 62 61  1  0  0  0  0 
- 63 62  2  0  0  0  0 
- 19 63  1  0  0  0  0 
- 65 64  1  0  0  0  0 
- 66 65  2  0  0  0  0 
- 16 66  1  0  0  0  0 
- 15 67  1  0  0  0  0 
- 78 68  2  0  0  0  0 
- 77 69  1  0  0  0  0 
- 76 70  1  0  0  0  0 
- 73 71  1  0  0  0  0 
- 71 72  1  0  0  0  0 
- 70 73  1  0  0  0  0 
- 76 74  1  0  0  0  0 
- 74 75  1  0  0  0  0 
- 69 76  1  0  0  0  0 
- 68 77  1  0  0  0  0 
-M  END
\ No newline at end of file
+
+  CDK    1/4/06,16:37
+
+  6  6  0  0  0  0  0  0  0  0999 V2000
+  228.0000  990.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  196.8231 1008.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  196.8231 1044.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  228.0000 1062.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  259.1769 1044.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  259.1769 1008.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0 
+  2  3  1  0  0  0  0 
+  3  4  1  0  0  0  0 
+  4  5  1  0  0  0  0 
+  5  6  1  0  0  0  0 
+  6  1  1  0  0  0  0 
+M  END 
diff --git a/src/org/openscience/cdk/Atom.java b/src/org/openscience/cdk/Atom.java
index 4dfd4c21d60..dc3b2ebd363 100644
--- a/src/org/openscience/cdk/Atom.java
+++ b/src/org/openscience/cdk/Atom.java
@@ -464,11 +464,40 @@ public double getFractZ3d() {
          * @see     #getX2d
          */
         public void setX2d(double xCoord) {
+        	setX2d(xCoord,true);
+        }
+
+
+        /**
+         * Sets the y coordinate for of the 2D location of this atom.
+         * You should know your context here. There is no guarantee that point2d and point3d
+         * contain consistent information. Both are handled independently.
+         *
+         * @param   yCoord  the new y coordinate for of the 2D location of this atom
+         *
+         * @see     #getY2d
+         */
+        public void setY2d(double yCoord) {
+        	setY2d(yCoord,true);
+        }
+        
+        /**
+         * Sets the x coordinate for of the 2D location of this atom.
+         * You should know your context here. There is no guarantee that point2d and point3d
+         * contain consistent information. Both are handled independently.
+         *
+         * @param   xCoord  the new x coordinate for of the 2D location of this atom
+         * @param   notify  fire a notifyChange on atom
+         *
+         * @see     #getX2d
+         */
+        public void setX2d(double xCoord, boolean notify) {
             if (point2d == null) {
                 point2d = new javax.vecmath.Point2d();
             }
             point2d.x = xCoord;
-	    notifyChanged();
+            if(notify)
+            	notifyChanged();
         }
 
 
@@ -478,15 +507,17 @@ public void setX2d(double xCoord) {
          * contain consistent information. Both are handled independently.
          *
          * @param   yCoord  the new y coordinate for of the 2D location of this atom
+         * @param   notify  fire a notifyChange on atom
          *
          * @see     #getY2d
          */
-        public void setY2d(double yCoord) {
+        public void setY2d(double yCoord, boolean notify) {
             if (point2d == null) {
                 point2d = new javax.vecmath.Point2d();
             }
             point2d.y = yCoord;
-	    notifyChanged();
+            if(notify)
+            	notifyChanged();
         }
 
 
diff --git a/src/org/openscience/cdk/applications/jchempaint/DrawingPanel.java b/src/org/openscience/cdk/applications/jchempaint/DrawingPanel.java
index 1013ee43f50..98a49a1cc6d 100755
--- a/src/org/openscience/cdk/applications/jchempaint/DrawingPanel.java
+++ b/src/org/openscience/cdk/applications/jchempaint/DrawingPanel.java
@@ -34,6 +34,7 @@
 import java.awt.RenderingHints;
 
 import javax.swing.JPanel;
+import javax.swing.JScrollPane;
 
 import org.openscience.cdk.renderer.Renderer2D;
 import org.openscience.cdk.renderer.Renderer2DModel;
@@ -50,6 +51,7 @@ public class DrawingPanel extends JPanel
 {
 	private JChemPaintModel jchemPaintModel;
 	private Renderer2D r2d;
+	private Dimension oldPreferredSize=null;
 	/**
 	 *  Description of the Field
 	 */
@@ -74,6 +76,10 @@ void setJChemPaintModel(JChemPaintModel model)
 		revalidate();
 	}
 	
+	public void updateRingSetInRenderer(){
+		r2d.redoSSSR(jchemPaintModel.getChemModel().getSetOfMolecules().getMolecules());
+	}
+	
 	/**
 	 *  Draws bonds, atoms; takes care of highlighting.
 	 *
@@ -81,7 +87,7 @@ void setJChemPaintModel(JChemPaintModel model)
 	 */
 	public void paint(Graphics g)
 	{
-    this.setBackground(jchemPaintModel.getRendererModel().getBackColor());
+	this.setBackground(jchemPaintModel.getRendererModel().getBackColor());
 		if (jchemPaintModel == null) return;
 		drawingNow = true;
 		super.paint(g);
@@ -93,6 +99,10 @@ public void paint(Graphics g)
 		}
 		r2d.paintChemModel(jchemPaintModel.getChemModel(), g2d);
 		drawingNow = false;
+		if(!this.getPreferredSize().equals(oldPreferredSize)){
+			oldPreferredSize=this.getPreferredSize();
+			resize(this.getPreferredSize());
+		}
 	}
 
 
@@ -106,6 +116,5 @@ public Dimension getPreferredSize()
 		if (jchemPaintModel == null) return new Dimension(794,1123);
 		return jchemPaintModel.getRendererModel().getBackgroundDimension();
 	}
-
 }
 
diff --git a/src/org/openscience/cdk/applications/jchempaint/JChemPaintEditorPanel.java b/src/org/openscience/cdk/applications/jchempaint/JChemPaintEditorPanel.java
index c86b0e35d0c..d56695cc39d 100755
--- a/src/org/openscience/cdk/applications/jchempaint/JChemPaintEditorPanel.java
+++ b/src/org/openscience/cdk/applications/jchempaint/JChemPaintEditorPanel.java
@@ -33,6 +33,8 @@
 import java.awt.Dimension;
 import java.awt.Graphics2D;
 import java.awt.Image;
+import java.awt.event.ComponentAdapter;
+import java.awt.event.ComponentEvent;
 import java.io.File;
 import java.io.FileReader;
 import java.io.IOException;
@@ -474,6 +476,15 @@ public static JFrame getNewFrame(JChemPaintModel model)
 		jcpep.registerModel(model);
 		jcpep.setJChemPaintModel(model);
 		frame.setTitle(model.getTitle());
+		//This ensures that the drawingpanel is never smaller than the application
+		frame.addComponentListener(new ComponentAdapter(){
+			public void componentResized(ComponentEvent e) {
+				if(((JChemPaintEditorPanel)((JFrame)e.getSource()).getContentPane().getComponent(0)).getJChemPaintModel().getRendererModel().getBackgroundDimension().width<((JFrame)e.getSource()).getWidth()-30)
+					((JChemPaintEditorPanel)((JFrame)e.getSource()).getContentPane().getComponent(0)).getJChemPaintModel().getRendererModel().setBackgroundDimension(new Dimension(((JFrame)e.getSource()).getWidth()-30,((JChemPaintEditorPanel)((JFrame)e.getSource()).getContentPane().getComponent(0)).getJChemPaintModel().getRendererModel().getBackgroundDimension().height));
+				if(((JChemPaintEditorPanel)((JFrame)e.getSource()).getContentPane().getComponent(0)).getJChemPaintModel().getRendererModel().getBackgroundDimension().height<((JFrame)e.getSource()).getHeight()-30)
+					((JChemPaintEditorPanel)((JFrame)e.getSource()).getContentPane().getComponent(0)).getJChemPaintModel().getRendererModel().setBackgroundDimension(new Dimension(((JChemPaintEditorPanel)((JFrame)e.getSource()).getContentPane().getComponent(0)).getJChemPaintModel().getRendererModel().getBackgroundDimension().width,((JFrame)e.getSource()).getHeight()-30));
+			}
+		});
 		return frame;
 	}
 
@@ -517,6 +528,7 @@ public Image takeSnapshot()
 		try
 		{
 			logger.info("Making snapshot... ");
+
             Renderer2D r2d = new Renderer2D(jchemPaintModel.getRendererModel());
             r2d.setRenderer2DModel(jchemPaintModel.getRendererModel());
             IChemModel model = (IChemModel) jchemPaintModel.getChemModel().clone();
@@ -528,10 +540,11 @@ public Image takeSnapshot()
             snapGraphics.setBackground(Color.WHITE);
             snapGraphics.clearRect(0,0,(int)dim.getWidth()+20, (int)dim.getHeight()+20);
             r2d.useScreenSize=false;
-            r2d.paintMolecule(ac, (Graphics2D) snapGraphics,false);
+            r2d.paintMolecule(ac, (Graphics2D) snapGraphics,false,true);
             r2d.useScreenSize=true;
             logger.info("created...");
 
+
 			logger.debug("painting succeeded.");
 		} catch (NullPointerException e)
 		{
diff --git a/src/org/openscience/cdk/applications/jchempaint/JChemPaintModel.java b/src/org/openscience/cdk/applications/jchempaint/JChemPaintModel.java
index 7ad74103a13..06d7149bcbb 100755
--- a/src/org/openscience/cdk/applications/jchempaint/JChemPaintModel.java
+++ b/src/org/openscience/cdk/applications/jchempaint/JChemPaintModel.java
@@ -223,15 +223,19 @@ public String getStatus(int position) {
 		}
 		else if (position == 1) {
 			// depict bruto formula
-			IAtomContainer wholeModel = ChemModelManipulator.getAllInOneContainer((org.openscience.cdk.interfaces.IChemModel)model);
-			String formula = new MFAnalyser(wholeModel).getHTMLMolecularFormulaWithCharge();
-			status = "<html>" + formula + "</html>";
+			IAtomContainer wholeModel = ChemModelManipulator.getAllInOneContainer((IChemModel)model);
+			String formula = new MFAnalyser(wholeModel,true).getHTMLMolecularFormulaWithCharge();
+			int impliciths=0;
+			for(int i=0;i<wholeModel.getAtomCount();i++){
+				impliciths+=wholeModel.getAtomAt(i).getHydrogenCount();
+			}
+			status = "<html>" + formula + (impliciths==0 ? "" : " (of these "+impliciths+" Hs implicit)")+"</html>";
 		}
 		else if (position == 2) {
 			// depict brutto formula of the selected molecule or part of molecule
 			if (rendererModel.getSelectedPart() != null) {
 				IAtomContainer selectedPart = rendererModel.getSelectedPart();
-				String formula = new MFAnalyser(selectedPart).getHTMLMolecularFormulaWithCharge();
+				String formula = new MFAnalyser(selectedPart,true).getHTMLMolecularFormulaWithCharge();
 				status = "<html>" + formula + "</html>";
 			}
 		}
diff --git a/src/org/openscience/cdk/applications/jchempaint/JChemPaintPanel.java b/src/org/openscience/cdk/applications/jchempaint/JChemPaintPanel.java
index 0c1df12c7b8..a311a529c10 100755
--- a/src/org/openscience/cdk/applications/jchempaint/JChemPaintPanel.java
+++ b/src/org/openscience/cdk/applications/jchempaint/JChemPaintPanel.java
@@ -65,6 +65,7 @@
 import javax.swing.filechooser.FileFilter;
 import javax.swing.undo.UndoManager;
 import javax.swing.undo.UndoableEditSupport;
+
 import org.openscience.cdk.ChemFile;
 import org.openscience.cdk.ChemModel;
 import org.openscience.cdk.ChemObject;
@@ -73,8 +74,10 @@
 import org.openscience.cdk.applications.jchempaint.action.SaveAction;
 import org.openscience.cdk.applications.jchempaint.dialogs.CreateCoordinatesForFileDialog;
 import org.openscience.cdk.applications.plugin.ICDKEditBus;
+import org.openscience.cdk.applications.undoredo.ClearAllEdit;
 import org.openscience.cdk.geometry.GeometryTools;
 import org.openscience.cdk.interfaces.IAtomContainer;
+import org.openscience.cdk.interfaces.ISetOfMolecules;
 import org.openscience.cdk.io.IChemObjectReader;
 import org.openscience.cdk.io.ReaderFactory;
 import org.openscience.cdk.io.listener.SwingGUIListener;
@@ -139,7 +142,8 @@ public abstract class JChemPaintPanel
     private UndoableEditSupport undoSupport;
     String guiString = "stable";
     //we remember the moveButton since this is special
-    public JButton moveButton=null;
+    protected JButton moveButton=null;
+    private JScrollPane scrollPane;
     
 	/**
 	 *  Constructor for the JChemPaintPanel object
@@ -158,13 +162,13 @@ public JChemPaintPanel() {
 		drawingPanel = new DrawingPanel();
 		drawingPanel.setOpaque(true);
 		drawingPanel.setBackground(Color.white);
-		JScrollPane scrollPane = new JScrollPane(drawingPanel,JScrollPane.VERTICAL_SCROLLBAR_AS_NEEDED, JScrollPane.HORIZONTAL_SCROLLBAR_AS_NEEDED);
+		scrollPane = new JScrollPane(drawingPanel,JScrollPane.VERTICAL_SCROLLBAR_AS_NEEDED, JScrollPane.HORIZONTAL_SCROLLBAR_AS_NEEDED);
 
 		mainContainer.add(scrollPane, BorderLayout.CENTER);
 
 		add(mainContainer, BorderLayout.CENTER);
-		setSize(new Dimension(600, 400));
-		setPreferredSize(new Dimension(600, 400));
+		setSize(new Dimension(900, 400));
+		setPreferredSize(new Dimension(900, 400));
         instances.add(this);
 	}
 
@@ -574,12 +578,17 @@ public JChemPaintModel getJChemPaintModel() {
 	 *@return    Description of the Return Value
 	 */
 	public int showWarning() {
-		if (jchemPaintModel.isModified() && !getIsOpenedByViewer() && !isEmbedded) {
+		if (jchemPaintModel.isModified() && !getIsOpenedByViewer() && !guiString.equals("applet")) {
 			int answer = JOptionPane.showConfirmDialog(this, jchemPaintModel.getTitle() + " " + JCPLocalizationHandler.getInstance().getString("warning"), JCPLocalizationHandler.getInstance().getString("warningheader"), JOptionPane.YES_NO_CANCEL_OPTION, JOptionPane.WARNING_MESSAGE);
 			if (answer == JOptionPane.YES_OPTION) {
 				new SaveAction(this, false).actionPerformed(new ActionEvent(this, 12, ""));
 			}
 			return answer;
+		} else if(guiString.equals("applet")){
+			//In case of the applet we do not ask for save but put the clear into the undo stack
+			ClearAllEdit coa=new ClearAllEdit(this.getChemModel(),(ISetOfMolecules)this.getChemModel().getSetOfMolecules().clone(),this.getChemModel().getSetOfReactions());
+			this.jchemPaintModel.getControllerModel().getUndoSupport().postEdit(coa);
+			return JOptionPane.YES_OPTION;
 		} else {
 			return JOptionPane.YES_OPTION;
 		}
@@ -1158,6 +1167,26 @@ public void setUndoSupport(UndoableEditSupport undoSupport) {
     	this.jchemPaintModel.getControllerModel().setUndoSupport(undoSupport);
     }
 
+
+	public JButton getMoveButton() {
+		return moveButton;
+	}
+
+
+	public void setMoveButton(JButton moveButton) {
+		this.moveButton = moveButton;
+	}
+
+
+	public JScrollPane getScrollPane() {
+		return scrollPane;
+	}
+
+
+	public void setScrollPane(JScrollPane scrollPane) {
+		this.scrollPane = scrollPane;
+	}
+
 }
 
 
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/AddHydrogenAction.java b/src/org/openscience/cdk/applications/jchempaint/action/AddHydrogenAction.java
index 71bb60ccd7f..6be77c60d57 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/AddHydrogenAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/AddHydrogenAction.java
@@ -163,6 +163,7 @@ private void addHydrogenToAllMolecules(ISetOfMolecules som)
 					if (type.equals("implicit"))
 					{
                         hydrogenAtomMap = hydrogenAdder.addImplicitHydrogensToSatisfyValency(molecule);
+                        controllerModel.setAutoUpdateImplicitHydrogens(true);
 //                        changedAtomsAndBonds = hydrogenAdder.addImplicitHydrogensToSatisfyValency(molecule);
 					} else if (type.equals("explicit"))
 					{
@@ -176,6 +177,7 @@ private void addHydrogenToAllMolecules(ISetOfMolecules som)
                         changedAtomsAndBonds = hydrogenAdder.addExplicitHydrogensToSatisfyValency(molecule);
                         HydrogenPlacer hPlacer = new HydrogenPlacer();
 						hPlacer.placeHydrogens2D(molecule, bondLength);
+						controllerModel.setAutoUpdateImplicitHydrogens(false);
 					} else if (type.equals("allimplicit"))
 					{
 						// remove explicit hydrogen if necessary
@@ -192,6 +194,7 @@ private void addHydrogenToAllMolecules(ISetOfMolecules som)
 						// add implicit hydrogen
                         hydrogenAtomMap = hydrogenAdder.addImplicitHydrogensToSatisfyValency(molecule);
 //                        changedAtomsAndBonds = hydrogenAdder.addImplicitHydrogensToSatisfyValency(molecule);
+                        controllerModel.setAutoUpdateImplicitHydrogens(true);
 					}
 				} else
 				{
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/ChemAction.java b/src/org/openscience/cdk/applications/jchempaint/action/ChemAction.java
index abb558c9681..fcdc865ff2d 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/ChemAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/ChemAction.java
@@ -72,7 +72,7 @@ public void actionPerformed(ActionEvent e)
 		logger.info("  type  ", type);
 		logger.debug("  source ", e.getSource());
 		jcpm = jcpPanel.getJChemPaintModel();
-    if (jcpm != null)
+		if (jcpm != null)
 		{
 			c2dm = jcpm.getControllerModel();
 			if (type.equals("bond"))
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/CleanupAction.java b/src/org/openscience/cdk/applications/jchempaint/action/CleanupAction.java
index 9cd93c78624..bb73b697096 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/CleanupAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/CleanupAction.java
@@ -39,6 +39,7 @@
 import org.openscience.cdk.Reaction;
 import org.openscience.cdk.SetOfMolecules;
 import org.openscience.cdk.SetOfReactions;
+import org.openscience.cdk.applications.jchempaint.DrawingPanel;
 import org.openscience.cdk.applications.jchempaint.JChemPaintModel;
 import org.openscience.cdk.applications.undoredo.CleanUpEdit;
 import org.openscience.cdk.geometry.GeometryTools;
@@ -153,6 +154,7 @@ public void actionPerformed(ActionEvent e)
 			jcpmodel.getRendererModel().setSelectedPart(new AtomContainer());
 			jcpmodel.fireChange();
 			jcpPanel.scaleAndCenterMolecule(jcpmodel.getChemModel());
+			((DrawingPanel)jcpPanel.getDrawingPanel()).updateRingSetInRenderer();
 			jcpPanel.repaint();
 		}
 	}
@@ -174,7 +176,7 @@ private IMolecule relayoutMolecule(IMolecule molecule)
 			{
 				try
 				{
-					Point2d centre = GeometryTools.get2DCentreOfMass(molecule);
+			    	Point2d centre = GeometryTools.get2DCentreOfMass(molecule);
 					diagramGenerator.setMolecule(molecule);
 					diagramGenerator.generateExperimentalCoordinates(new Vector2d(0, 1));
 					cleanedMol = diagramGenerator.getMolecule();
@@ -182,6 +184,7 @@ private IMolecule relayoutMolecule(IMolecule molecule)
 					 *  make the molecule end up somewhere reasonable
 					 *  See constructor of JCPPanel
 					 */
+					Thread.sleep(5000);
 					GeometryTools.translateAllPositive(cleanedMol);
 					double scaleFactor = GeometryTools.getScaleFactor(cleanedMol, jcpmodel.getRendererModel().getBondLength());
 					GeometryTools.scaleMolecule(cleanedMol, scaleFactor);
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/CopyPasteAction.java b/src/org/openscience/cdk/applications/jchempaint/action/CopyPasteAction.java
index ae4aaaf705d..b2699696110 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/CopyPasteAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/CopyPasteAction.java
@@ -212,7 +212,7 @@ public JcpSelection (IAtomContainer tocopy1) throws Exception{
     		  cow.write(tocopy);
     		  cow.close();
     	  }
-    	  cml=sw.toString();      
+    	  cml=sw.toString();
       }
     	
       public synchronized DataFlavor [] getTransferDataFlavors () {
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/EditAction.java b/src/org/openscience/cdk/applications/jchempaint/action/EditAction.java
index c9da4059a00..49e0b856bd3 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/EditAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/EditAction.java
@@ -28,8 +28,10 @@
  */
 package org.openscience.cdk.applications.jchempaint.action;
 
+import java.awt.Color;
 import java.awt.event.ActionEvent;
 
+import javax.swing.JButton;
 import javax.swing.JOptionPane;
 
 import org.openscience.cdk.Atom;
@@ -38,6 +40,7 @@
 import org.openscience.cdk.interfaces.IChemObject;
 import org.openscience.cdk.Reaction;
 import org.openscience.cdk.applications.jchempaint.JChemPaintModel;
+import org.openscience.cdk.controller.Controller2DModel;
 import org.openscience.cdk.renderer.Renderer2DModel;
 import org.openscience.cdk.tools.manipulator.ChemModelManipulator;
 import org.openscience.cdk.tools.manipulator.ReactionManipulator;
@@ -111,6 +114,10 @@ else if (type.equals("cutSelected")) {
 		}
 		else if (type.equals("selectAll")) {
 			renderModel.setSelectedPart(ChemModelManipulator.getAllInOneContainer(jcpModel.getChemModel()));
+			((JButton)jcpPanel.lastAction.get(0)).setBackground(Color.LIGHT_GRAY);
+			jcpPanel.lastAction.set(0,jcpPanel.getMoveButton());
+			jcpPanel.getMoveButton().setBackground(Color.GRAY);
+			jcpModel.getControllerModel().setDrawMode(Controller2DModel.MOVE);
 			jcpModel.fireChange();
 		} else if (type.equals("selectMolecule")) {
 			IChemObject object = getSource(event);
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/FlipAction.java b/src/org/openscience/cdk/applications/jchempaint/action/FlipAction.java
index 0a1d2a356b0..2d52a4d7a79 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/FlipAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/FlipAction.java
@@ -33,10 +33,10 @@
 import javax.swing.undo.UndoableEdit;
 import javax.vecmath.Point2d;
 
-import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.applications.jchempaint.JChemPaintModel;
 import org.openscience.cdk.applications.undoredo.FlipEdit;
 import org.openscience.cdk.geometry.GeometryTools;
+import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.renderer.Renderer2DModel;
 
 /**
@@ -54,7 +54,7 @@ public void actionPerformed(ActionEvent e) {
         JChemPaintModel jcpModel = jcpPanel.getJChemPaintModel();
         Renderer2DModel renderModel = jcpModel.getRendererModel();
         boolean horiz = "horizontal".equals(type);
-        if (horiz || "vertical".equals(type)) {
+        if (renderModel.getSelectedPart()!=null && (horiz || "vertical".equals(type))) {
             IAtomContainer toflip = renderModel.getSelectedPart();
             Point2d center = GeometryTools.get2DCenter(toflip);
             org.openscience.cdk.interfaces.IAtom[] atoms = toflip.getAtoms();
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/HelpAction.java b/src/org/openscience/cdk/applications/jchempaint/action/HelpAction.java
index bda33fe7c34..c1ecf6fff57 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/HelpAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/HelpAction.java
@@ -30,7 +30,7 @@
 
 import java.awt.event.ActionEvent;
 
-import org.openscience.cdk.applications.jchempaint.dialogs.JavaHelpDialog;
+import org.openscience.cdk.applications.jchempaint.dialogs.HelpDialog;
 
 /**
  * Pops up the help.
@@ -49,21 +49,12 @@ public class HelpAction extends JCPAction
 	 */
 	public void actionPerformed(ActionEvent e)
 	{
-    try
-    {
-      if (type.equals("tutorial"))
-      {
-        JavaHelpDialog jHD = new JavaHelpDialog("tutorial");
-      }
-      else
-      {
-        JavaHelpDialog jHD = new JavaHelpDialog(null);
-      }
-    }
-    catch (Exception ee)
+		if (type.equals("tutorial"))
 		{
-      System.out.println("HelpSet: "+ee.getMessage());
-      System.out.println("HelpSet: "+" not found");
+			new HelpDialog(null, "org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/tutorial.html").show();
+		} else
+		{
+			new HelpDialog(null, "org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/jcp.html").show();
 		}
 	}
 }
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/SaveAsAction.java b/src/org/openscience/cdk/applications/jchempaint/action/SaveAsAction.java
index 7a91a96bf88..d20abc36cb5 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/SaveAsAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/SaveAsAction.java
@@ -144,6 +144,8 @@ protected void saveAs(ActionEvent event)
 			
 			IChemObject object = getSource(event);
 			currentFilter = chooser.getFileFilter();
+			if(returnVal==JFileChooser.CANCEL_OPTION)
+				ready=0;
 			if (returnVal == JFileChooser.APPROVE_OPTION)
 			{
 				type = ((IJCPFileFilter) currentFilter).getType();
diff --git a/src/org/openscience/cdk/applications/jchempaint/action/ZoomAction.java b/src/org/openscience/cdk/applications/jchempaint/action/ZoomAction.java
index 927d4a3de31..8e880042aca 100755
--- a/src/org/openscience/cdk/applications/jchempaint/action/ZoomAction.java
+++ b/src/org/openscience/cdk/applications/jchempaint/action/ZoomAction.java
@@ -28,6 +28,7 @@
  */
 package org.openscience.cdk.applications.jchempaint.action;
 
+import java.awt.Point;
 import java.awt.event.ActionEvent;
 
 import org.openscience.cdk.applications.jchempaint.JChemPaintModel;
@@ -56,9 +57,11 @@ public void actionPerformed(ActionEvent e)
 		if (type.equals("in"))
 		{
 			renderModel.setZoomFactor(renderModel.getZoomFactor() * 1.5);
+			jcpPanel.getScrollPane().getViewport().setViewPosition(new Point((int)(jcpPanel.getScrollPane().getViewport().getViewPosition().x*1.5),(int)(jcpPanel.getScrollPane().getViewport().getViewPosition().y*1.5)));
 		} else if (type.equals("out"))
 		{
 			renderModel.setZoomFactor(renderModel.getZoomFactor() / 1.5);
+			jcpPanel.getScrollPane().getViewport().setViewPosition(new Point((int)(jcpPanel.getScrollPane().getViewport().getViewPosition().x/1.5),(int)(jcpPanel.getScrollPane().getViewport().getViewPosition().y/1.5)));
 		} else if (type.equals("original"))
 		{
 			renderModel.setZoomFactor(1.0);
diff --git a/src/org/openscience/cdk/applications/jchempaint/applet/AppletCanvas.java b/src/org/openscience/cdk/applications/jchempaint/applet/AppletCanvas.java
index d721e0ac45e..dda59670060 100755
--- a/src/org/openscience/cdk/applications/jchempaint/applet/AppletCanvas.java
+++ b/src/org/openscience/cdk/applications/jchempaint/applet/AppletCanvas.java
@@ -122,7 +122,7 @@ public void paint(Graphics g)
 			renderer.paintChemModel(model.getChemModel(), (Graphics2D) g);
 		} else
 		{
-			renderer.paintMolecule(container, (Graphics2D) g,false);
+			renderer.paintMolecule(container, (Graphics2D) g,false,true);
 		}
 	}
 
diff --git a/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintAbstractApplet.java b/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintAbstractApplet.java
index aa569e1a016..9f751e0dd72 100644
--- a/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintAbstractApplet.java
+++ b/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintAbstractApplet.java
@@ -27,6 +27,8 @@
 import java.awt.BorderLayout;
 import java.awt.Color;
 import java.awt.Dimension;
+import java.awt.event.MouseAdapter;
+import java.awt.event.MouseEvent;
 import java.io.InputStreamReader;
 import java.io.StringReader;
 import java.io.StringWriter;
@@ -40,9 +42,11 @@
 import org.openscience.cdk.AtomContainer;
 import org.openscience.cdk.ChemModel;
 import org.openscience.cdk.Molecule;
+import org.openscience.cdk.SetOfMolecules;
 import org.openscience.cdk.applications.jchempaint.JCPPropertyHandler;
 import org.openscience.cdk.applications.jchempaint.JChemPaintModel;
 import org.openscience.cdk.applications.jchempaint.JChemPaintPanel;
+import org.openscience.cdk.applications.swing.JExternalFrame;
 import org.openscience.cdk.io.IChemObjectReader;
 import org.openscience.cdk.io.MDLWriter;
 import org.openscience.cdk.io.ReaderFactory;
@@ -60,6 +64,7 @@ public abstract class JChemPaintAbstractApplet extends JApplet {
 	private JChemPaintModel theModel = null;
 	private String localeString = null;
 	private PropertyResourceBundle appletProperties = null;
+	JExternalFrame jexf = null;
 
 	private static String appletInfo = "JChemPaint Applet. See http://cdk.sourceforge.net "
 			+ "for more information";
@@ -119,8 +124,12 @@ private double getValue(String propertyName, double defaultValue) {
 	public void initPanelAndModel(JChemPaintPanel jcpp) {
 		getContentPane().removeAll();
 		getContentPane().setLayout(new BorderLayout());
-    theModel.setTitle("JCP Applet" /* getNewFrameName() */);
-		theModel.setAuthor(JCPPropertyHandler.getInstance().getJCPProperties().getProperty("General.UserName"));
+		theModel.setTitle("JCP Applet" /* getNewFrameName() */);
+    	try{
+    		theModel.setAuthor(JCPPropertyHandler.getInstance().getJCPProperties().getProperty("General.UserName"));
+    	}catch(NullPointerException ex){
+    		//It seems we get an npe here sometimes. the line is not necessary
+    	}
 		// Package self = Package.getPackage("org.openscience.cdk.applications.jchempaint");
 		// String version = self.getImplementationVersion();
 		// model.setSoftware("JChemPaint " + version);
@@ -130,35 +139,35 @@ public void initPanelAndModel(JChemPaintPanel jcpp) {
 		jcpp.registerModel(theModel);
 		if(getParameter("detachable")!=null && getParameter("detachable").equals("true"))
 			jcpp.addFilePopUpMenu();		
-    if(theJcpp.getJChemPaintModel()!=null){
-      jcpp.scaleAndCenterMolecule(theModel.getChemModel(),new Dimension((int)this.getSize().getWidth()-100,(int)this.getSize().getHeight()-100));
-      if(theModel.getChemModel().getSetOfMolecules()!=null){
-        int smallestX=Integer.MAX_VALUE;
-        int largestX=Integer.MIN_VALUE;
-        int smallestY=Integer.MAX_VALUE;
-        int largestY=Integer.MIN_VALUE;
-        for(int i=0;i<theModel.getChemModel().getSetOfMolecules().getMolecules().length;i++){
-          for(int k=0;k<theModel.getChemModel().getSetOfMolecules().getMolecule(i).getAtomCount();k++){
-            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x<smallestX)
-              smallestX=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x;
-            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x>largestX)
-              largestX=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x;
-            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y<smallestY)
-              smallestY=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y;
-            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y>largestY)
-              largestY=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y;
-          }
-        }
-        int x=largestX-smallestX+30;
-        int y=largestY - smallestY+30;
-        if(x<300)
-          x=300;
-        if(y<300)
-          y=300;
-        theModel.getRendererModel().setBackgroundDimension(new Dimension(x,y));
-        jcpp.scaleAndCenterMolecule(theModel.getChemModel(),theModel.getRendererModel().getBackgroundDimension());
-      }
-    }
+		if(theJcpp.getJChemPaintModel()!=null){
+			jcpp.scaleAndCenterMolecule(theModel.getChemModel(),new Dimension((int)this.getSize().getWidth()-100,(int)this.getSize().getHeight()-100));
+		if(theModel.getChemModel().getSetOfMolecules()!=null){
+	        int smallestX=Integer.MAX_VALUE;
+	        int largestX=Integer.MIN_VALUE;
+	        int smallestY=Integer.MAX_VALUE;
+	        int largestY=Integer.MIN_VALUE;
+	        for(int i=0;i<theModel.getChemModel().getSetOfMolecules().getMolecules().length;i++){
+	          for(int k=0;k<theModel.getChemModel().getSetOfMolecules().getMolecule(i).getAtomCount();k++){
+	            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x<smallestX)
+	              smallestX=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x;
+	            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x>largestX)
+	              largestX=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().x;
+	            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y<smallestY)
+	              smallestY=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y;
+	            if(theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y>largestY)
+	              largestY=(int)theModel.getChemModel().getSetOfMolecules().getMolecule(0).getAtomAt(k).getPoint2d().y;
+	          }
+	        }
+	        int x=largestX-smallestX+30;
+	        int y=largestY - smallestY+30;
+	        if(x<300)
+	          x=300;
+	        if(y<300)
+	          y=300;
+	        theModel.getRendererModel().setBackgroundDimension(new Dimension(x,y));
+	        jcpp.scaleAndCenterMolecule(theModel.getChemModel(),theModel.getRendererModel().getBackgroundDimension());
+	      }
+	    }
 		//embedded means that additional instances can't be created, which is
 		// needed for applet as well
 		jcpp.setEmbedded();
@@ -175,9 +184,9 @@ protected void loadModelFromParam() {
 		try {
 			URL documentBase = getDocumentBase();
 			String load = getParameter("load");
-			if (load != null)
+      if (load != null)
 				fileURL = new URL(documentBase, load);
-		} catch (Exception exception) {
+    } catch (Exception exception) {
 			System.out.println("Cannot load model: " + exception.toString());
 			exception.printStackTrace();
 		}
@@ -193,6 +202,7 @@ public void loadModelFromUrl(URL fileURL) {
 				InputStreamReader isReader = new InputStreamReader(fileURL.openStream());
 				IChemObjectReader reader = new ReaderFactory().createReader(isReader);
 				ChemModel chemModel = (ChemModel) reader.read(new ChemModel());
+        
         int count=0;
         for(int i=0;i<chemModel.getSetOfMolecules().getMolecules().length;i++){
           for(int k=0;k<chemModel.getSetOfMolecules().getMolecules()[i].getAtomCount();k++){
@@ -224,6 +234,10 @@ public void start() {
       theJcpp.getJChemPaintModel().getRendererModel().setBackColor(new Color(Integer.parseInt(background)));
     }
 	}
+	
+	public void init(){
+		prepareExternalFrame();
+	}
 
 	public void stop() {
 	}
@@ -252,15 +266,69 @@ public String getMolFile() throws Exception{
     mdlwriter.write(all);
     return(sw.toString());
   }
+
+  /**
+   * This method replaces all \n characters with the system line separator. This can be used when setting a mol file in an applet
+   * without knowing which platform the applet is running on.
+   * 
+   * @param mol The mol file to set
+   * @throws Exception
+   */
+  public void setMolFileWithReplace(String mol) throws Exception{
+	StringBuffer newmol=new StringBuffer();
+    int s = 0;
+    int e = 0;
+    while ((e = mol.indexOf("\\n", s)) >= 0) {
+      newmol.append(mol.substring(s, e));
+      newmol.append(System.getProperty("file.separator"));
+      s = e + 1;
+    }
+    newmol.append(mol.substring(s));
+    System.err.println(newmol.toString());
+    theJcpp.showChemFile(new StringReader(newmol.toString()));
+    repaint();
+  }
   
   public void setMolFile(String mol) throws Exception{
     theJcpp.showChemFile(new StringReader(mol));
     repaint();
   }
 
+  
+  public void clear() throws Exception{
+	  theModel.getChemModel().setSetOfMolecules(new SetOfMolecules());
+	  repaint();
+  }
+
   public void selectAtom(int atom){
     theJcpp.getJChemPaintModel().getRendererModel().setHighlightColor(Color.RED);
     theJcpp.getJChemPaintModel().getRendererModel().setHighlightedAtom(theJcpp.getJChemPaintModel().getChemModel().getSetOfMolecules().getMolecules()[0].getAtomAt(atom));
     getTheJcpp().repaint();
   }
+
+	/**
+	 * @return Returns the jexf.
+	 */
+	private JExternalFrame getJexf() {
+		if (jexf == null)
+			jexf = new JExternalFrame();
+		return jexf;
+	}
+
+	/**
+	 * sets title for external frame
+	 * adds listener for double clicks in order to open external frame
+	 */
+	private void prepareExternalFrame() { 
+		if (this.getParameter("name") != null)
+			getJexf().setTitle(this.getParameter("name"));
+		getTheJcpp().getDrawingPanel().addMouseListener(new MouseAdapter() {
+			public void mousePressed(MouseEvent e) {
+				if (e.getButton() == 1 && e.getClickCount() == 2)
+					if (!getJexf().isShowing()) {
+						getJexf().show(getTheJcpp());
+				}	
+			}
+		});
+	}
 }
diff --git a/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintEditorApplet.java b/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintEditorApplet.java
index 72cca34d713..97de9166e61 100755
--- a/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintEditorApplet.java
+++ b/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintEditorApplet.java
@@ -29,11 +29,8 @@
 package org.openscience.cdk.applications.jchempaint.applet;
 
 import java.awt.Dimension;
-import java.awt.event.MouseAdapter;
-import java.awt.event.MouseEvent;
 
 import org.openscience.cdk.applications.jchempaint.JChemPaintEditorPanel;
-import org.openscience.cdk.applications.swing.JExternalFrame;
 
 /**
  * The
@@ -44,7 +41,6 @@
 public class JChemPaintEditorApplet extends JChemPaintAbstractApplet
 {
 	JChemPaintEditorPanel jcpep = null;
-	JExternalFrame jexf = null;
   
 	/* (non-Javadoc)
 	 * @see java.applet.Applet#init()
@@ -57,7 +53,7 @@ public void init() {
         );
 		jcpep.setShowStatusBar(false);
 		setTheJcpp(jcpep);
-		prepareExternalFrame();
+		super.init();
 	}
 	
 	/* (non-Javadoc)
@@ -72,30 +68,4 @@ public void start() {
 	public void stop() {
 		super.stop();
 	}
-
-	/**
-	 * @return Returns the jexf.
-	 */
-	private JExternalFrame getJexf() {
-		if (jexf == null)
-			jexf = new JExternalFrame();
-		return jexf;
-	}
-
-	/**
-	 * sets title for external frame
-	 * adds listener for double clicks in order to open external frame
-	 */
-	private void prepareExternalFrame() { 
-		if (this.getParameter("name") != null)
-			getJexf().setTitle(this.getParameter("name"));
-		getTheJcpp().getDrawingPanel().addMouseListener(new MouseAdapter() {
-			public void mousePressed(MouseEvent e) {
-				if (e.getButton() == 1 && e.getClickCount() == 2)
-					if (!getJexf().isShowing()) {
-						getJexf().show(getTheJcpp());
-				}	
-			}
-		});
-	}
 }
diff --git a/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintViewerOnlyApplet.java b/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintViewerOnlyApplet.java
index 10b68d7327a..170c119bec3 100644
--- a/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintViewerOnlyApplet.java
+++ b/src/org/openscience/cdk/applications/jchempaint/applet/JChemPaintViewerOnlyApplet.java
@@ -54,11 +54,12 @@ public class JChemPaintViewerOnlyApplet extends JChemPaintAbstractApplet impleme
 	 */
 	public void init() {
     JChemPaintViewerOnlyPanel jcpvop = new JChemPaintViewerOnlyPanel(new Dimension((int)this.getSize().getWidth()-100,(int)this.getSize().getHeight()-100), "applet");
-		setTheJcpp(jcpvop);
+    setTheJcpp(jcpvop);
 		String atomNumbers=getParameter("spectrumRenderer");
     if(atomNumbers!=null){
       getTheJcpp().getDrawingPanel().addMouseMotionListener(this);
     }
+    super.init();
 	}
 	
 	/* (non-Javadoc)
diff --git a/src/org/openscience/cdk/applications/jchempaint/dialogs/HelpDialog.java b/src/org/openscience/cdk/applications/jchempaint/dialogs/HelpDialog.java
new file mode 100755
index 00000000000..9adbd325381
--- /dev/null
+++ b/src/org/openscience/cdk/applications/jchempaint/dialogs/HelpDialog.java
@@ -0,0 +1,269 @@
+/*
+ *  $RCSfile$
+ *  $Author$
+ *  $Date$
+ *  $Revision$
+ *
+ *  Copyright (C) 1998-2005  The JChemPaint project
+ *
+ *  Contact: jchempaint-devel@lists.sf.net
+ *
+ *  This program is free software; you can redistribute it and/or
+ *  modify it under the terms of the GNU Lesser General Public License
+ *  as published by the Free Software Foundation; either version 2.1
+ *  of the License, or (at your option) any later version.
+ *  All we ask is that proper credit is given for our work, which includes
+ *  - but is not limited to - adding the above copyright notice to the beginning
+ *  of your source code files, and to any copyright notice that you may distribute
+ *  with programs based on this work.
+ *
+ *  This program is distributed in the hope that it will be useful,
+ *  but WITHOUT ANY WARRANTY; without even the implied warranty of
+ *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ *  GNU Lesser General Public License for more details.
+ *
+ *  You should have received a copy of the GNU Lesser General Public License
+ *  along with this program; if not, write to the Free Software
+ *  Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
+ */
+package org.openscience.cdk.applications.jchempaint.dialogs;
+
+import java.awt.BorderLayout;
+import java.awt.Container;
+import java.awt.Cursor;
+import java.awt.Dimension;
+import java.awt.FlowLayout;
+import java.awt.event.ActionEvent;
+import java.awt.event.ActionListener;
+import java.io.IOException;
+import java.net.MalformedURLException;
+import java.net.URL;
+
+import javax.swing.JButton;
+import javax.swing.JDialog;
+import javax.swing.JEditorPane;
+import javax.swing.JFrame;
+import javax.swing.JPanel;
+import javax.swing.JScrollPane;
+import javax.swing.SwingUtilities;
+import javax.swing.event.HyperlinkEvent;
+import javax.swing.event.HyperlinkListener;
+import javax.swing.text.Document;
+
+/**
+ * A Dialog showing help information
+ *
+ * @cdk.module jchempaint
+ * @author     steinbeck
+ */
+public class HelpDialog extends JDialog implements HyperlinkListener
+{
+	JEditorPane html;
+
+
+	/**
+	 *  Constructor for the HelpDialog object
+	 *
+	 *@param  fr  Description of the Parameter
+	 */
+	public HelpDialog(JFrame fr)
+	{
+		this(fr, "doc/userhelp/ch02.html");
+	}
+
+
+	/**
+	 *  Constructor for the HelpDialog object
+	 *
+	 *@param  fr        Description of the Parameter
+	 *@param  helpfile  Description of the Parameter
+	 */
+	public HelpDialog(JFrame fr, String helpfile)
+	{
+		super(fr, "JChemPaint Help", false);
+
+		try
+		{
+			URL helpURL = ClassLoader.getSystemResource(helpfile);
+			if (helpURL != null)
+			{
+				html = new JEditorPane(helpURL);
+			} else
+			{
+				html = new JEditorPane("text/plain", "Unable to find url \"" + helpfile + "\".");
+			}
+			html.setEditable(false);
+			html.addHyperlinkListener(this);
+		} catch (MalformedURLException e)
+		{
+			System.out.println("Malformed URL: " + e);
+		} catch (IOException e)
+		{
+			System.out.println("IOException: " + e);
+		}
+		JScrollPane scroller =
+			new JScrollPane()
+			{
+				public Dimension getPreferredSize()
+				{
+					return new Dimension(500, 400);
+				}
+
+
+				public float getAlignmentX()
+				{
+					return LEFT_ALIGNMENT;
+				}
+			};
+		scroller.getViewport().add(html);
+
+		JPanel htmlWrapper = new JPanel(new BorderLayout());
+		htmlWrapper.setAlignmentX(LEFT_ALIGNMENT);
+		htmlWrapper.add(scroller, BorderLayout.CENTER);
+
+		JPanel buttonPanel = new JPanel();
+		buttonPanel.setLayout(new FlowLayout(FlowLayout.RIGHT));
+		JButton ok = new JButton("OK");
+		ok.addActionListener(
+			new ActionListener()
+			{
+				public void actionPerformed(ActionEvent e)
+				{
+					OKPressed();
+				}
+			});
+		buttonPanel.add(ok);
+		getRootPane().setDefaultButton(ok);
+
+		JPanel container = new JPanel();
+		container.setLayout(new BorderLayout());
+
+		container.add(htmlWrapper, BorderLayout.CENTER);
+		container.add(buttonPanel, BorderLayout.SOUTH);
+
+		getContentPane().add(container);
+		pack();
+		centerDialog();
+	}
+
+
+	/**
+	 *  Description of the Method
+	 *
+	 *@param  e  Description of the Parameter
+	 */
+	public void hyperlinkUpdate(HyperlinkEvent e)
+	{
+		if (e.getEventType() == HyperlinkEvent.EventType.ACTIVATED)
+		{
+			linkActivated(e.getURL());
+		}
+	}
+
+
+	/**
+	 *  Follows the reference in an link. The given url is the requested reference.
+	 *  By default this calls <a href="#setPage">setPage</a> , and if an exception
+	 *  is thrown the original previous document is restored and a beep sounded. If
+	 *  an attempt was made to follow a link, but it represented a malformed url,
+	 *  this method will be called with a null argument.
+	 *
+	 *@param  u  the URL to follow
+	 */
+	protected void linkActivated(URL u)
+	{
+		Cursor c = html.getCursor();
+		Cursor waitCursor = Cursor.getPredefinedCursor(Cursor.WAIT_CURSOR);
+		html.setCursor(waitCursor);
+		SwingUtilities.invokeLater(new PageLoader(u, c));
+	}
+
+
+	/**
+	 *  temporary class that loads synchronously (although later than the request
+	 *  so that a cursor change can be done).
+	 *
+	 *@author     steinbeck
+	 */
+	class PageLoader implements Runnable
+	{
+
+		/**
+		 *  Constructor for the PageLoader object
+		 *
+		 *@param  u  Description of the Parameter
+		 *@param  c  Description of the Parameter
+		 */
+		PageLoader(URL u, Cursor c)
+		{
+			url = u;
+			cursor = c;
+		}
+
+
+		/**
+		 *  Main processing method for the PageLoader object
+		 */
+		public void run()
+		{
+			if (url == null)
+			{
+				// restore the original cursor
+				html.setCursor(cursor);
+
+				// remove this hack when automatic validation is
+				// activated.
+				Container parent = html.getParent();
+				parent.repaint();
+			} else
+			{
+				Document doc = html.getDocument();
+				try
+				{
+					html.setPage(url);
+				} catch (IOException ioe)
+				{
+					html.setDocument(doc);
+					getToolkit().beep();
+				} finally
+				{
+					// schedule the cursor to revert after the paint
+					// has happended.
+					url = null;
+					SwingUtilities.invokeLater(this);
+				}
+			}
+		}
+
+
+		URL url;
+		Cursor cursor;
+	}
+
+
+	/**
+	 *  Description of the Method
+	 */
+	protected void centerDialog()
+	{
+		Dimension screenSize = this.getToolkit().getScreenSize();
+		Dimension size = this.getSize();
+		screenSize.height = screenSize.height / 2;
+		screenSize.width = screenSize.width / 2;
+		size.height = size.height / 2;
+		size.width = size.width / 2;
+		int y = screenSize.height - size.height;
+		int x = screenSize.width - size.width;
+		this.setLocation(x, y);
+	}
+
+
+	/**
+	 *  Description of the Method
+	 */
+	public void OKPressed()
+	{
+		this.setVisible(false);
+	}
+
+}
\ No newline at end of file
diff --git a/src/org/openscience/cdk/applications/jchempaint/dialogs/JavaHelpDialog.java b/src/org/openscience/cdk/applications/jchempaint/dialogs/JavaHelpDialog.java
deleted file mode 100644
index 87286ca7517..00000000000
--- a/src/org/openscience/cdk/applications/jchempaint/dialogs/JavaHelpDialog.java
+++ /dev/null
@@ -1,73 +0,0 @@
-/*
- *  $RCSfile$
- *  $Author$
- *  $Date$
- *  $Revision$
- *
- *  Copyright (C) 1998-2005  The JChemPaint project
- *
- *  Contact: jchempaint-devel@lists.sf.net
- *
- *  This program is free software; you can redistribute it and/or
- *  modify it under the terms of the GNU Lesser General Public License
- *  as published by the Free Software Foundation; either version 2.1
- *  of the License, or (at your option) any later version.
- *  All we ask is that proper credit is given for our work, which includes
- *  - but is not limited to - adding the above copyright notice to the beginning
- *  of your source code files, and to any copyright notice that you may distribute
- *  with programs based on this work.
- *
- *  This program is distributed in the hope that it will be useful,
- *  but WITHOUT ANY WARRANTY; without even the implied warranty of
- *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
- *  GNU Lesser General Public License for more details.
- *
- *  You should have received a copy of the GNU Lesser General Public License
- *  along with this program; if not, write to the Free Software
- *  Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
- */
-package org.openscience.cdk.applications.jchempaint.dialogs;
-
-import java.net.URL;
-
-import javax.help.HelpBroker;
-import javax.help.HelpSet;
-
-/**
- * Display the help system for the application.
- * 
- * <P>Display one of table of contents, index, or search tab, according
- * to argument passed to the constructor. This implementation uses 
- * Sun's <a href=http://java.sun.com/products/javahelp/>JavaHElp</a> tool.
- * 
- * <P>This action is unusual inthat it corresponds to more than one menu item
- * (contents, favorites and Search)
- *
- * @cdk.module  jchempaint
- * @author      mrojas
- * @cdk.created 2005-06-05
- * @cdk.require javahelp
- */
-public class JavaHelpDialog
-{
-    /**
-	 *  Constructor for the JavaHelpDialog object
-	 *
-	 *@param  id        An ID of whatever kind XXX FIXME
-	 */
-	public JavaHelpDialog(String id)
-	{
-		try {
-        URL helpurl=HelpSet.findHelpSet(this.getClass().getClassLoader(),"org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/jcp.hs");
-		    HelpSet hs = new HelpSet(null, helpurl);
-		    HelpBroker hb = hs.createHelpBroker();
-        hb.setDisplayed(true);
-        if(id!=null)
-          hb.setCurrentID(id);
-		} catch(Exception ee) {
-	        System.out.println("HelpSet: "+ee.getMessage());
-	        System.out.println("HelpSet: "+ "jcp.hs" + " not found");
-	      }
-	}
-}
-
diff --git a/src/org/openscience/cdk/applications/jchempaint/dialogs/LicenseDialog.java b/src/org/openscience/cdk/applications/jchempaint/dialogs/LicenseDialog.java
index cc21dc68573..276431480da 100755
--- a/src/org/openscience/cdk/applications/jchempaint/dialogs/LicenseDialog.java
+++ b/src/org/openscience/cdk/applications/jchempaint/dialogs/LicenseDialog.java
@@ -60,28 +60,32 @@ public void doInit(){
 	String version = self.getImplementationVersion();
 
         String s1 = 
-            "JChemPaint "  + version + " is licensed GPL, but " +
+            "JChemPaint "  + version + " is licensed LGPL, but " +
             "the libraries it uses have different licenses.\n" +
             "See 'http://jchempaint.sourceforge.net' for further information " +
             "about the license you accept when using this software.\n\n";
         String s2 =
-            "Copyright (C) 1997-2005  The JChemPaint project\n" +
+            "Copyright (C) 1997-2006  The JChemPaint project\n" +
             "\n" +
             "Contact: jchempaint-devel@lists.sf.net\n" +
             "\n" +
-            "This program is free software; you can redistribute it and/or modify\n" +
-            "it under the terms of the GNU General Public License as published by\n" +
-            "the Free Software Foundation; either version 2 of the License, or\n" +
-            "(at your option) any later version.\n" +
-            "\n" +
-            "This program is distributed in the hope that it will be useful,\n" +
-            "but WITHOUT ANY WARRANTY; without even the implied warranty of\n" +
-            "MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the\n" +
-            "GNU General Public License for more details.\n" +
-            "\n" +
-            "You should have received a copy of the GNU General Public License\n" +
-            "along with this program; if not, write to the Free Software\n" +
-            "Foundation,  *  Foundation, 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.\n";
+ "This program is free software; you can redistribute it and/or\n" +
+ "modify it under the terms of the GNU Lesser General Public License\n" +
+ "as published by the Free Software Foundation; either version 2.1\n" +
+ "of the License, or (at your option) any later version.\n" +
+ "All we ask is that proper credit is given for our work, which includes\n" +
+ "- but is not limited to - adding the above copyright notice to the beginning\n" +
+ "of your source code files, and to any copyright notice that you may distribute\n" +
+ "with programs based on this work.\n\n" +
+
+ "This program is distributed in the hope that it will be useful,\n" +
+ "but WITHOUT ANY WARRANTY; without even the implied warranty of\n" +
+ "MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the\n" +
+ "GNU Lesser General Public License for more details.\n\n" +
+
+ "You should have received a copy of the GNU Lesser General Public License\n" +
+ "along with this program; if not, write to the Free Software\n" +
+ "Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.\n";
 
         JLabel label1 = new JLabel();
         getContentPane().setLayout(new BorderLayout());
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle.properties
index a637ffcaabc..d54b5608a74 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle.properties
@@ -395,6 +395,7 @@ moveTooltip=Move Atoms and Bonds
 cleanupTooltip=Relayout the structures
 eraserTooltip=Delete Atoms and Bonds
 lassoTooltip=Select Atoms and Bonds
+selectTooltip=Select Atoms and Bonds in a square region
 triangleTooltip=Add a propane ring
 squareTooltip=Add a butane ring
 pentagonTooltip=Add a pentane ring
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_de.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_de.properties
index 5090f11e014..158738e50e1 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_de.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_de.properties
@@ -324,6 +324,7 @@ moveTooltip=Atome und Bindungen verschieben
 cleanupTooltip=Neulayout der Struktur
 eraserTooltip=L\u00F6sche Atome und Bindungen
 lassoTooltip=W\u00E4hle Atome und Bindungen aus
+selectTooltip=W\u00E4hle Atome und Bindungen in einer rechteckigen Region aus
 triangleTooltip=Einen Propanring einf\u00FCgen
 squareTooltip=Einen Butanring einf\u00FChgen
 pentagonTooltip=Einen Pentanring einf\u00FCgen
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_es.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_es.properties
index 69a7229c643..16558cb2cf8 100644
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_es.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPBundle_es.properties
@@ -389,6 +389,7 @@ redoTooltip=Rehacer la Acci\u00f3n
 
 symbolTooltip=Cambiar el S\u00edmbolo del \u00c1tomo
 elementTooltip=Seleccionar S\u00edmbolo de la Tabla Peri\u00f3dica
+enterelementTooltip=Introducir el simbol de un elemento por keybord
 bondTooltip=Dibujar Enlace y \u00c1tomos
 up_bondTooltip=Generar Stereo-Enlaces hacia arriba
 down_bondTooltip=Generar Stereo-Enlaces hacia abajo
@@ -398,6 +399,7 @@ moveTooltip=Mover \u00c1tomos y Enlaces
 cleanupTooltip=Redise\u00f1ar la Estructura
 eraserTooltip=Eliminar \u00c1tomos y Enlaces
 lassoTooltip=Seleccionar \u00c1tomos y Enlaces
+selectTooltip=Seleccionar \u00c1tomos y Enlaces en una determinada region
 triangleTooltip=Agregar un Ciclopropano
 squareTooltip=Agregar un Ciclobutano
 pentagonTooltip=Agregar un Ciclopentano
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_applet.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_applet.properties
index d889faf73f3..6eb467920fe 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_applet.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_applet.properties
@@ -92,7 +92,7 @@ reactionpopup=selectFromChemObject - runValidate \
 #######################################################
 
 toolbar=undo redo - bond symbol element enterelement up_bond down_bond plus minus - \
-  move eraser lasso cleanup - triangle square pentagon \
+  move eraser lasso select cleanup - triangle square pentagon \
   hexagon heptagon octagon benzene
 chemtoolbar=
 elementtoolbar=C H O N P S F Cl Br I
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_experimental.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_experimental.properties
index 88948581abd..2ca04dbfbf6 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_experimental.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_experimental.properties
@@ -98,7 +98,7 @@ reactionpopup=saveAs - comment - selectFromChemObject - runValidate \
 
 toolbar=new open saveAs - undo redo - \
   bond symbol element enterelement up_bond down_bond plus minus - \
-  move eraser lasso cleanup - triangle square pentagon \
+  move eraser lasso select cleanup - triangle square pentagon \
   hexagon heptagon octagon benzene - mapAtom
 chemtoolbar=
 elementtoolbar=C H O N P S F Cl Br I
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_macie.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_macie.properties
index c77efa865cd..3041237ce52 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_macie.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_macie.properties
@@ -98,7 +98,7 @@ selectFromReaction=selectFromChemObject selectReactants selectProducts
 
 toolbar=new open saveAs - undo redo - \
   bond symbol element enterelement up_bond down_bond plus minus - \
-  move eraser lasso cleanup - triangle square pentagon \
+  move eraser lasso select cleanup - triangle square pentagon \
   hexagon heptagon octagon benzene
 chemtoolbar=
 elementtoolbar=C H O N P S F Cl Br I
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_stable.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_stable.properties
index 3941b65416d..3a0740a082e 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_stable.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JCPGUI_stable.properties
@@ -2,6 +2,9 @@
 # $Author$
 # $Date$
 # $Revision$
+# $Author$
+# $Date$
+# $Revision$
 #
 #  Copyright (C) 2004-2005  The JChemPaint project
 #
@@ -100,7 +103,7 @@ reactionpopup=selectFromChemObject - runValidate \
 toolbar=new open saveAs - \
   undo redo bond - \
   symbol element enterelement up_bond down_bond plus minus move - \
-  eraser lasso cleanup triangle - square pentagon  \
+  eraser lasso select cleanup triangle - square pentagon  \
   hexagon heptagon octagon benzene
 chemtoolbar=
 elementtoolbar=C H O N P S F Cl Br I
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/text/JChemPaintResources.properties b/src/org/openscience/cdk/applications/jchempaint/resources/text/JChemPaintResources.properties
index a2fac53dd42..dc5ac9fd31f 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/text/JChemPaintResources.properties
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/text/JChemPaintResources.properties
@@ -43,6 +43,7 @@ openImage=resources/small-bin/open.gif
 saveAsImage=resources/small-bin/save.gif
 bondImage=resources/small-bin/bond.gif
 lassoImage=resources/small-bin/lasso.gif
+selectImage=resources/small-bin/selectsquare.gif
 eraserImage=resources/small-bin/eraser.gif
 moveImage=resources/small-bin/move.gif
 symbolImage=resources/small-bin/symbol.gif
@@ -211,6 +212,7 @@ atomToResidueLocatorAction=org.openscience.cdk.applications.jchempaint.action.Co
 # Button actions
 bondAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@bond
 lassoAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@lasso
+selectAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@select
 eraserAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@eraser
 moveAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@move
 symbolAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@symbol
@@ -239,6 +241,7 @@ mapAtomAction=org.openscience.cdk.applications.jchempaint.action.ChemAction@map
 
 bondLabel=Bond
 lassoLabel=Lasso
+selectLabel=Select
 eraserLabel=Eraser
 moveLabel=Move
 symbolLabel=Symbol
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/button.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/button.html
index f75212dbe98..30ba5ff0c56 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/button.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/button.html
@@ -23,8 +23,14 @@
 
 <h2>The Button Panel</h2>
 <p>
-Below is an explanantion of the function of the buttons in the button panel. 
-But before starting that, let's note the source code which offers this functionality.<br>
+In the following pages you can find an explanantion of the function of the buttons in the button panel. </p>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="drawingButtons.html"><b>Drawing buttons</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="moveButtons.html"><b>Move buttons</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="otherButtons.html"><b>Other buttons</b></a></td>
+<p>But before starting that, let's note the source code which offers this functionality.<br>
 JChemPaint's source code provides only the GUI part, but all the 
 chemoinformational algorithms which make JChemPaint an editor, are provided by 
 CDK. The two main classes of interest are:
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menu.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menu.html
index 260566242cb..8036e26be81 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menu.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menu.html
@@ -23,6 +23,23 @@
 
 <h2>The Menu description</h2>
 
+<p>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuFile.html"><b>File (not for applet)</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuEdit.html"><b>Edit</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuView.html"><b>View</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuInsert.html"><b>Insert</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuReport.html"><b>Report</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuPlugins.html"><b>Plugins (not for applet)</b></a></td>
+  <td><img src="../../small-bin/hg_proc.gif" width="18" height="13"></td>
+  <td><a href="menuHelp.html"><b>Help</b></a></td>
+  </p>
+
 <div class="navfooter"><hr>
  <table width="100%">
   <tr>
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuEdit.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuEdit.html
index 397fe4bc528..fbeac5e7279 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuEdit.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuEdit.html
@@ -26,6 +26,12 @@ <h2>The Edit Menu</h2>
 <h3>Undo</h3>
  <p>Recovers the state of the frame before the last operation that you did.</p>
 
+<h3>Undo</h3>
+ <p>Redos the last undo.</p>
+
+<h3>New (applet only)</h3>
+ <p>Cleans the document (in the standalone up, there is a New item in the File menu).</p>
+
 <h3>Cut Selected</h3>
  <p>Removes the selected part from the model.</p>
 
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuInsert.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuInsert.html
index 78b3826ea06..095a42f11bd 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuInsert.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuInsert.html
@@ -23,18 +23,6 @@
 
 <h2>The Insert Menu</h2>
 
-<h3>From Internet</h3>
- <p>If a connection to the internet is active, you can download 2D structures 
- from the Internet into a new frame. The DADML setting (see ???) defines a 
- super database which in its place defines databases from which structures can 
- be downloaded automatically.</p>
- <p>Indices are also determined dynamically, by querying the superdatabase. 
- Normally, CAS and NSC indices are expected.</p>
- <p>An example is downloading formaldehyde which has the CAS number 50-00-0. 
- In most cases the structures downloaded by its NSC number result in a 2D 
- projection of 3D structures. These structures can be &ldquo cleaned up &rdquo 
- (see the section called &ldquoThe Cleanup Button &rdquo) . </p>
-
  <h3>Insert SMILES</h3>
  <p>Can be used in to type a SMILES structure of which the structure is to be drawn.</p>
  <p>The SMILES is parsed by CDK's smiles.SmilesParser class and layout into a 2D
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuView.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuView.html
index bb0653a7bf6..4437d00389c 100755
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuView.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/menuView.html
@@ -23,12 +23,16 @@
 
 <h2>The View Menu</h2>
 
+<h3>Toolbar/Menu bar/Status bar</h3>
+ <p>Here you can switch on and off these elements.</p>
 <h3> Zoom in</h3>
  <p>Enlarges the structure(s) painted.</p>
 <h3> Zoom out</h3>
  <p>Scales down the structure(s) painted.</p>
 <h3>Zoom 100%</h3>
  <p>Zooms to the original size.</p>
+<h3>Properties</h3>
+ <p>Here you can enter some propeties (e. g. if atom numbers shall be drawn) which determine the look of the molecule.</p>
 
 <div class="navfooter"><hr>
  <table width="100%">
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/molecules.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/molecules.html
index 809006184b3..6c245ac5caf 100644
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/molecules.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/molecules.html
@@ -24,14 +24,21 @@
 
 
 <h3> Creating Molecules</h3>
-<p>Start a new document, by clicking the white paper with the yellow star on
-   the top left corner. In the Draw mode (the bond button), click and hold 
-   the mouse at any place and drag the mouse in any direction. Release the 
-   mouse button when the bond is pointing in the wanted direction.</p>
-<p>Enter the Symbol mode, and click one of the atoms. This will rotate the atom 
-   symbol through a small list of commom elements.</p>
-   
- <div class="navfooter"><hr>
+<p>When JChemPaint has been startet, you automatically get an empty document. In order to paint 
+a structure the typical steps would be the following:
+<ul><li>Often it is the best to start with rings. Using the ring templates in the button bar (click on a button 
+and then in the document) you can build the ring structures of the molecule. You can dock a ring to another ring by clicking 
+on an existing ring (the docking atoms will be highlighted). If the molecule has no rings, go to the next step.</li>
+<li>The next step are typically the chains. Choose the <img src="../../small-bin/bond.gif"/> button, click on the atom where the chain starts and then on the 
+last atom of the chain to enlarge it.</li>
+<li>After this, you can add double/triple bonds by using <img src="../../small-bin/bond.gif"/> again and clicking on the bonds to make double or triple. You can use 
+<img src="../../small-bin/up_bond.gif"/> and <img src="../../small-bin/down_bond.gif"/> to make existing bonds wedge bonds or you can draw wedge bonds directly by clicking 
+on an existing bond.</li>
+<li>Finally the atoms need to be set. Either use one of the symbol buttons and click on an atom to change it to this symbol. You can also use the periodic table <img src="../../small-bin/element.gif"/> 
+to choose an element. Finally with <img src="../../small-bin/symbol.gif"/> you can go through some common elements by clicking on an atom repeatedly. With 
+<img src="../../small-bin/plus_one.gif"/> and <img src="../../small-bin/min_one.gif"/> you can change the charge.</li>
+Obviously the mentioned steps are only a suggestion. You can do them in any order. Many functions are also available in conext menus by right clicking on an atom or bond.</p>
+<div class="navfooter"><hr>
  <table width="100%">
   <tr>
    <td align="left" width="40%"><a href="tutorial.html">Prev</a>&nbsp;</td>
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/moveButtons.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/moveButtons.html
index be5fa3dc7a1..86d71d47e47 100644
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/moveButtons.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/moveButtons.html
@@ -30,7 +30,9 @@ <h3>Buttons for moving Objects</h3>
    <ul type="circle">
      <li> The Translate Button <img src="../../small-bin/move.gif"></li>
    </ul>
-     <p>This buttone lets you move selected objects in the xy plane.</p>
+     <p>This buttone lets you move selected objects in the xy plane. When two 
+     atoms overlap (or nearly overlap) while moving they get marked. If you release the mouse button
+     while atoms are marked, these will be merged.</p>
      <p>The algorithms behind this button are provided by 
      the controller.Controller2D class.</p><br>
      
diff --git a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/otherButtons.html b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/otherButtons.html
index 8946236430c..c76489d41dc 100644
--- a/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/otherButtons.html
+++ b/src/org/openscience/cdk/applications/jchempaint/resources/userhelp_jcp/contain/otherButtons.html
@@ -34,6 +34,12 @@ <h3>Buttons for other operations</h3><br>
    </ul>
      <p>This button allows selecting a new drawing element from a list a 
      periodic table.</p><br>
+
+   <ul type="circle">
+     <li>The Text Symbol Button <img src="../../small-bin/enterelement.gif"></li>
+   </ul>
+     <p>This button allows entering of element symbols via keyboard. Click on an 
+     atom and enter the element name. Capitalisation does not matter</p><br>
      
    <ul type="circle">
      <li> The Eraser Button <img src="../../small-bin/eraser.gif"></li>
@@ -48,6 +54,9 @@ <h3>Buttons for other operations</h3><br>
      <li>The Select (Lasso) Button <img src="../../small-bin/lasso.gif"> </li>
    </ul>
      <p>In this mode one can select objects with a lasso.</p>
+     <p>If you click on a selected part after the selection, you are switched automatically to
+     the move mode. When you hover inside a selected area, a ring will appear. When you drag the mouse
+     while this is visible, you can rotate the marked structure.</p>
      <p>The algorithms behind this button are provided by the 
      controller.Controller2D class.</p><br>
      
diff --git a/src/org/openscience/cdk/applications/swing/JExternalFrame.java b/src/org/openscience/cdk/applications/swing/JExternalFrame.java
index e8fcfc62dac..c31fcbc552e 100644
--- a/src/org/openscience/cdk/applications/swing/JExternalFrame.java
+++ b/src/org/openscience/cdk/applications/swing/JExternalFrame.java
@@ -113,6 +113,7 @@ public void show(Component comp) {
 	 * @see java.awt.Window#dispose()
 	 */
 	public void dispose() {
+    try{
 		theParent.remove(getDummyPanel());
 		this.getContentPane().remove(theComponent);
 		theComponent.setSize(embeddedSize);
@@ -120,5 +121,8 @@ public void dispose() {
 		super.dispose();
 		theParent.validate();
 		theParent.repaint();
+    }catch(Exception ex){
+      //FIXME npe in applet here - needs a true fix
+    }
 	}
 }
diff --git a/src/org/openscience/cdk/applications/swing/MoleculeListViewer.java b/src/org/openscience/cdk/applications/swing/MoleculeListViewer.java
index bd3dde9a041..ae9de375b3f 100644
--- a/src/org/openscience/cdk/applications/swing/MoleculeListViewer.java
+++ b/src/org/openscience/cdk/applications/swing/MoleculeListViewer.java
@@ -31,13 +31,18 @@
 import java.awt.BorderLayout;
 import java.awt.Dimension;
 import java.awt.Graphics;
+
 import javax.swing.JFrame;
 
+import org.openscience.cdk.interfaces.IMolecule;
+import org.openscience.cdk.layout.StructureDiagramGenerator;
+import org.openscience.cdk.renderer.Renderer2DModel;
+
 /**
  * @cdk.module applications
  *
- * @author     steinbeck
- * @cdk.created    2002-10-29
+ * @author      steinbeck
+ * @cdk.created 2002-10-29
  * @cdk.require swing
  */
 public class MoleculeListViewer extends JFrame
@@ -100,7 +105,45 @@ public void addStructure(MoleculeViewer2D moleculeViewer, String title) {
 		panel.revalidate();
 	}
 
+	/**
+	 *  Adds a molecule in a MoleculeViewer2D to this list viewer
+	 *  Convenience method.
+	 *
+	 *@param  molecule The Molecule object for which a display to add
+	 *@param  generateCoordinates true, if 2D coordinates should be generated automatically
+	 *@param  drawNumbers true, if the molecule should show atom numbers
+	 *@param  title Title string to display
+	 */
+
+    public void addStructure(IMolecule molecule, boolean generateCoordinates, boolean drawNumbers, String title)
+    {	
+        StructureDiagramGenerator sdg = new StructureDiagramGenerator();
+        MoleculeViewer2D moleculeViewer = new MoleculeViewer2D();
 
+        try
+        {
+            if (generateCoordinates)
+            {
+                sdg.setMolecule((IMolecule)molecule.clone());
+                sdg.generateCoordinates();
+                molecule = sdg.getMolecule();
+            }
+            moleculeViewer.setAtomContainer(molecule);
+            moleculeViewer.setPreferredSize(new Dimension(300,300));
+            Renderer2DModel r2dm = moleculeViewer.getRenderer2DModel();
+            r2dm.setDrawNumbers(drawNumbers);
+            panel.addStructure(moleculeViewer, title);
+            
+        }
+        catch(Exception exc)
+        {
+            System.out.println("*** Exit due to an unexpected error during coordinate generation ***");
+            exc.printStackTrace();
+        }
+    }
+	
+	
+	
 	public void paint(Graphics graphics)
 	{
 		super.paint(graphics);
diff --git a/src/org/openscience/cdk/applications/swing/MoleculeViewer2D.java b/src/org/openscience/cdk/applications/swing/MoleculeViewer2D.java
index 58dccfe0148..a5a9e79150b 100644
--- a/src/org/openscience/cdk/applications/swing/MoleculeViewer2D.java
+++ b/src/org/openscience/cdk/applications/swing/MoleculeViewer2D.java
@@ -242,7 +242,7 @@ public void paint(Graphics graphics)
             GeometryTools.translateAllPositive(atomContainer);
             GeometryTools.scaleMolecule(atomContainer, r2dm.getBackgroundDimension(), 0.8);
             GeometryTools.center(atomContainer, r2dm.getBackgroundDimension());
-            renderer.paintMolecule(atomContainer, (Graphics2D)graphics,false);
+            renderer.paintMolecule(atomContainer, (Graphics2D)graphics,false,true);
         }
     }
 
diff --git a/src/org/openscience/cdk/applications/undoredo/AddAtomsAndBondsEdit.java b/src/org/openscience/cdk/applications/undoredo/AddAtomsAndBondsEdit.java
index ec99d3e4fbd..6906e57c84b 100644
--- a/src/org/openscience/cdk/applications/undoredo/AddAtomsAndBondsEdit.java
+++ b/src/org/openscience/cdk/applications/undoredo/AddAtomsAndBondsEdit.java
@@ -27,13 +27,13 @@
 import javax.swing.undo.CannotRedoException;
 import javax.swing.undo.CannotUndoException;
 
+import org.openscience.cdk.graph.ConnectivityChecker;
 import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.interfaces.IBond;
 import org.openscience.cdk.interfaces.IChemModel;
 import org.openscience.cdk.interfaces.IMolecule;
 import org.openscience.cdk.interfaces.ISetOfMolecules;
-import org.openscience.cdk.graph.ConnectivityChecker;
 import org.openscience.cdk.tools.manipulator.ChemModelManipulator;
 
 /**
@@ -46,8 +46,6 @@ public class AddAtomsAndBondsEdit extends AbstractUndoableEdit {
 
 	private IAtomContainer undoRedoContainer;
 
-	private IAtomContainer container;
-
 	private String type;
 
 	/**
@@ -58,7 +56,6 @@ public AddAtomsAndBondsEdit(IChemModel chemModel,
 			IAtomContainer undoRedoContainer, String type) {
 		this.chemModel = chemModel;
 		this.undoRedoContainer = undoRedoContainer;
-		this.container = ChemModelManipulator.getAllInOneContainer(chemModel);
 		this.type = type;
 	}
 
@@ -68,6 +65,7 @@ public AddAtomsAndBondsEdit(IChemModel chemModel,
 	 * @see javax.swing.undo.UndoableEdit#redo()
 	 */
 	public void redo() throws CannotRedoException {
+		IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
 		for (int i = 0; i < undoRedoContainer.getBondCount(); i++) {
 			IBond bond = undoRedoContainer.getBondAt(i);
 			container.addBond(bond);
@@ -88,6 +86,8 @@ public void redo() throws CannotRedoException {
 	 * @see javax.swing.undo.UndoableEdit#undo()
 	 */
 	public void undo() throws CannotUndoException {
+		System.out.println("AddAtomsAndBondsEdit undo");
+		IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
 		for (int i = 0; i < undoRedoContainer.getBondCount(); i++) {
 			IBond bond = undoRedoContainer.getBondAt(i);
 			container.removeElectronContainer(bond);
@@ -100,6 +100,7 @@ public void undo() throws CannotUndoException {
 		ISetOfMolecules moleculeSet = ConnectivityChecker
 				.partitionIntoMolecules(molecule);
 		chemModel.setSetOfMolecules(moleculeSet);
+		System.out.println(ChemModelManipulator.getAllInOneContainer(chemModel).getBondCount());
 	}
 
 	/*
diff --git a/src/org/openscience/cdk/applications/undoredo/BondChangeEdit.java b/src/org/openscience/cdk/applications/undoredo/BondChangeEdit.java
index 50a96a4c760..9c615ecdb85 100644
--- a/src/org/openscience/cdk/applications/undoredo/BondChangeEdit.java
+++ b/src/org/openscience/cdk/applications/undoredo/BondChangeEdit.java
@@ -38,7 +38,6 @@
 
 public class BondChangeEdit extends AbstractUndoableEdit {
 
-	private IAtomContainer container;
 
 	private IBond newBond;
 
@@ -56,7 +55,6 @@ public BondChangeEdit(IChemModel chemModel, IBond formerBond, IBond newBond) {
 		if (formerBond != null) {
 			formerBond.setAtoms(atoms);
 		}
-		container = ChemModelManipulator.getAllInOneContainer(chemModel);
 	}
 
 	/*
@@ -65,6 +63,7 @@ public BondChangeEdit(IChemModel chemModel, IBond formerBond, IBond newBond) {
 	 * @see javax.swing.undo.UndoableEdit#redo()
 	 */
 	public void redo() throws CannotRedoException {
+		IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
 		container.removeElectronContainer(formerBond);
 		container.addBond(newBond);
 		IMolecule molecule = new org.openscience.cdk.Molecule(container);
@@ -79,6 +78,8 @@ public void redo() throws CannotRedoException {
 	 * @see javax.swing.undo.UndoableEdit#undo()
 	 */
 	public void undo() throws CannotUndoException {
+		System.out.println("BondChangeEdit undo");
+		IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
 		container.removeElectronContainer(newBond);
 		container.addBond(formerBond);
 		IMolecule molecule = new org.openscience.cdk.Molecule(container);
diff --git a/src/org/openscience/cdk/applications/undoredo/ClearAllEdit.java b/src/org/openscience/cdk/applications/undoredo/ClearAllEdit.java
new file mode 100644
index 00000000000..7cc49d91c02
--- /dev/null
+++ b/src/org/openscience/cdk/applications/undoredo/ClearAllEdit.java
@@ -0,0 +1,63 @@
+package org.openscience.cdk.applications.undoredo;
+
+import javax.swing.undo.AbstractUndoableEdit;
+import javax.swing.undo.CannotRedoException;
+import javax.swing.undo.CannotUndoException;
+
+import org.openscience.cdk.interfaces.IChemModel;
+import org.openscience.cdk.interfaces.ISetOfMolecules;
+import org.openscience.cdk.interfaces.ISetOfReactions;
+
+public class ClearAllEdit extends AbstractUndoableEdit {
+	private IChemModel chemModel;
+	private ISetOfMolecules som;
+	private ISetOfReactions sor;
+
+	public ClearAllEdit(IChemModel chemModel, ISetOfMolecules som, ISetOfReactions sor) {
+		this.chemModel = chemModel;
+		this.som=som;
+		this.sor=sor;
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#redo()
+	 */
+	public void redo() throws CannotRedoException {
+    	if(chemModel.getSetOfMolecules()!=null)
+    		chemModel.getSetOfMolecules().removeAllAtomContainers();
+    	if(chemModel.getSetOfReactions()!=null)
+    		chemModel.getSetOfReactions().removeAllReactions();	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#undo()
+	 */
+	public void undo() throws CannotUndoException {
+		if(som!=null)
+			chemModel.setSetOfMolecules(som);
+		if(sor!=null)
+			chemModel.setSetOfReactions(sor);
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#canRedo()
+	 */
+	public boolean canRedo() {
+		return true;
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#canUndo()
+	 */
+	public boolean canUndo() {
+		return true;
+	}
+
+}
diff --git a/src/org/openscience/cdk/applications/undoredo/MergeMoleculesEdit.java b/src/org/openscience/cdk/applications/undoredo/MergeMoleculesEdit.java
new file mode 100644
index 00000000000..e70004265d3
--- /dev/null
+++ b/src/org/openscience/cdk/applications/undoredo/MergeMoleculesEdit.java
@@ -0,0 +1,117 @@
+package org.openscience.cdk.applications.undoredo;
+
+import java.util.ArrayList;
+
+import javax.swing.undo.AbstractUndoableEdit;
+import javax.swing.undo.CannotRedoException;
+import javax.swing.undo.CannotUndoException;
+
+import org.openscience.cdk.interfaces.IAtom;
+import org.openscience.cdk.interfaces.IAtomContainer;
+import org.openscience.cdk.interfaces.IBond;
+import org.openscience.cdk.interfaces.IChemModel;
+import org.openscience.cdk.tools.manipulator.ChemModelManipulator;
+
+public class MergeMoleculesEdit  extends AbstractUndoableEdit{
+	
+
+	private IChemModel chemModel;
+	private String type;
+	private ArrayList undoredoContainer;
+
+
+	public MergeMoleculesEdit(IChemModel chemModel, ArrayList undoredoContainer, String type) {
+		this.chemModel = chemModel;
+		this.undoredoContainer = undoredoContainer;
+		this.type = type;
+		
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#redo()
+	 */
+	public void redo() throws CannotRedoException {
+		IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
+		for (int objects=0; objects<undoredoContainer.size(); objects++) {
+			Object[] undoObjects = (Object[]) undoredoContainer.get(objects);
+			IAtom atom1 = (IAtom) undoObjects[0];
+			IAtom atom2 = (IAtom) undoObjects[1];
+			IBond[] bonds = (IBond[]) undoObjects[2];
+			
+			for(int i=0;i<bonds.length;i++){
+				if(bonds[i].getAtomAt(0)==atom2)
+					bonds[i].setAtomAt(atom1,0);
+				if(bonds[i].getAtomAt(1)==atom2)
+					bonds[i].setAtomAt(atom1,1);
+				if(bonds[i].getAtomAt(0)==bonds[i].getAtomAt(1)){
+					container.removeElectronContainer(bonds[i]);
+				}
+			}
+			container.removeAtom(atom2);
+		}
+//		Molecule molecule = new org.openscience.cdk.Molecule(container);
+//		SetOfMolecules moleculeSet = ConnectivityChecker
+//				.partitionIntoMolecules(molecule);
+//		chemModel.setSetOfMolecules(moleculeSet);
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#undo()
+	 */
+	public void undo() throws CannotUndoException {
+		IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
+		for (int objects=0; objects<undoredoContainer.size(); objects++) {
+			Object[] undoObjects = (Object[]) undoredoContainer.get(objects);
+			IAtom atom1 = (IAtom) undoObjects[0];
+			IAtom atom2 = (IAtom) undoObjects[1];
+			IBond[] bonds = (IBond[]) undoObjects[2];
+			
+			container.addAtom(atom2);
+			for(int i=0;i<bonds.length;i++){
+				if(bonds[i].getAtomAt(0)==atom1)
+					bonds[i].setAtomAt(atom2,0);
+				if(bonds[i].getAtomAt(1)==atom1)
+					bonds[i].setAtomAt(atom2,1);
+				if(bonds[i].getAtomAt(0)==bonds[i].getAtomAt(1)){
+					container.removeElectronContainer(bonds[i]);
+				}
+			}
+		}
+//		Molecule molecule = new org.openscience.cdk.Molecule(container);
+//		SetOfMolecules moleculeSet = ConnectivityChecker
+//				.partitionIntoMolecules(molecule);
+//		chemModel.setSetOfMolecules(moleculeSet);
+		
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#canRedo()
+	 */
+	public boolean canRedo() {
+		return true;
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#canUndo()
+	 */
+	public boolean canUndo() {
+		return true;
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#getPresentationName()
+	 */
+	public String getPresentationName() {
+		return type;
+	}
+}
diff --git a/src/org/openscience/cdk/applications/undoredo/MoveAtomEdit.java b/src/org/openscience/cdk/applications/undoredo/MoveAtomEdit.java
new file mode 100644
index 00000000000..49e005f70d0
--- /dev/null
+++ b/src/org/openscience/cdk/applications/undoredo/MoveAtomEdit.java
@@ -0,0 +1,92 @@
+/* $RCSfile$
+ * $Author$
+ * $Date$
+ * $Revision$
+ *
+ * Copyright (C) 2005  The Chemistry Development Kit (CDK) project
+ *
+ * Contact: cdk-devel@lists.sourceforge.net
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
+ */
+package org.openscience.cdk.applications.undoredo;
+
+import javax.swing.undo.AbstractUndoableEdit;
+import javax.swing.undo.CannotRedoException;
+import javax.swing.undo.CannotUndoException;
+import javax.vecmath.Point2d;
+
+import org.openscience.cdk.interfaces.IAtom;
+import org.openscience.cdk.interfaces.IAtomContainer;
+
+public class MoveAtomEdit extends AbstractUndoableEdit {
+
+	private IAtomContainer undoRedoContainer;
+
+	private int deltaX;
+	
+	private int deltaY;
+
+	public MoveAtomEdit(IAtomContainer undoRedoContainer, int deltaX, int deltaY) {
+		this.undoRedoContainer = undoRedoContainer;
+		this.deltaX=deltaX;
+		this.deltaY=deltaY;
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#redo()
+	 */
+	public void redo() throws CannotRedoException {
+		for (int i = 0; i < undoRedoContainer.getAtomCount(); i++) {
+			IAtom atom=undoRedoContainer.getAtomAt(i);
+			Point2d newPoint = new Point2d(atom.getX2d() + deltaX, atom.getY2d() + deltaY);
+			atom.setPoint2d(newPoint);
+		}
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#undo()
+	 */
+	public void undo() throws CannotUndoException {
+		for (int i = 0; i < undoRedoContainer.getAtomCount(); i++) {
+			IAtom atom=undoRedoContainer.getAtomAt(i);
+			Point2d newPoint = new Point2d(atom.getX2d() - deltaX, atom.getY2d() - deltaY);
+			atom.setPoint2d(newPoint);
+		}
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#canRedo()
+	 */
+	public boolean canRedo() {
+		return true;
+	}
+
+	/*
+	 * (non-Javadoc)
+	 * 
+	 * @see javax.swing.undo.UndoableEdit#canUndo()
+	 */
+	public boolean canUndo() {
+		return true;
+	}
+
+}
diff --git a/src/org/openscience/cdk/config/AtomTypeFactory.java b/src/org/openscience/cdk/config/AtomTypeFactory.java
index f5cdac7cce1..96c4f840773 100644
--- a/src/org/openscience/cdk/config/AtomTypeFactory.java
+++ b/src/org/openscience/cdk/config/AtomTypeFactory.java
@@ -211,13 +211,7 @@ private void readConfiguration(String fileName, IChemObjectBuilder builder)
 	            	logger.error("no stream and no file");
 	            }
             }
-            
-			if (ins == null)
-			{
-				logger.error("There was a problem getting a stream for ",
-						fileName);
-			}
-		}
+   		}
 
         String format = XML_EXTENSION;
         if (fileName.endsWith(TXT_EXTENSION)) {
diff --git a/src/org/openscience/cdk/controller/AbstractController2D.java b/src/org/openscience/cdk/controller/AbstractController2D.java
index d87caa999c7..09786191a0c 100644
--- a/src/org/openscience/cdk/controller/AbstractController2D.java
+++ b/src/org/openscience/cdk/controller/AbstractController2D.java
@@ -33,11 +33,15 @@
 import java.awt.Dimension;
 import java.awt.Point;
 import java.awt.Polygon;
+import java.awt.Shape;
 import java.awt.event.KeyEvent;
 import java.awt.event.KeyListener;
 import java.awt.event.MouseEvent;
 import java.awt.event.MouseListener;
 import java.awt.event.MouseMotionListener;
+import java.awt.geom.AffineTransform;
+import java.awt.geom.PathIterator;
+import java.util.ArrayList;
 import java.util.EventObject;
 import java.util.HashMap;
 import java.util.Iterator;
@@ -52,12 +56,15 @@
 import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.Mapping;
 import org.openscience.cdk.applications.undoredo.AddAtomsAndBondsEdit;
-import org.openscience.cdk.applications.undoredo.BondChangeEdit;
+import org.openscience.cdk.applications.undoredo.AdjustBondOrdersEdit;
 import org.openscience.cdk.applications.undoredo.ChangeAtomSymbolEdit;
 import org.openscience.cdk.applications.undoredo.ChangeChargeEdit;
+import org.openscience.cdk.applications.undoredo.MergeMoleculesEdit;
+import org.openscience.cdk.applications.undoredo.MoveAtomEdit;
 import org.openscience.cdk.applications.undoredo.RemoveAtomsAndBondsEdit;
 import org.openscience.cdk.config.IsotopeFactory;
 import org.openscience.cdk.event.ICDKChangeListener;
+import org.openscience.cdk.geometry.BondTools;
 import org.openscience.cdk.geometry.GeometryTools;
 import org.openscience.cdk.graph.ConnectivityChecker;
 import org.openscience.cdk.interfaces.IAtom;
@@ -97,11 +104,11 @@ abstract class AbstractController2D implements MouseMotionListener, MouseListene
 	private final static int DRAG_MAKING_SQUARE_SELECTION = 4;
 	private final static int DRAG_MAKING_LASSO_SELECTION = 5;
 	private final static int DRAG_DRAWING_PROPOSED_ATOMATOMMAP = 6;
+	private final static int DRAG_ROTATE = 7;
 	
 	protected Vector lastAction=null;
 	protected JButton moveButton=null;
 	
-	IAtomContainer atomContainer;
 	protected IChemModel chemModel;
 	
 	Renderer2DModel r2dm;
@@ -124,6 +131,8 @@ abstract class AbstractController2D implements MouseMotionListener, MouseListene
 	IAtom lastAtomInRange = null;
 	private double shiftX = 0;
 	private double shiftY = 0;
+	double moveoldX;
+	double moveoldY;
 
 	// Helper classes
 	HydrogenAdder hydrogenAdder = new HydrogenAdder("org.openscience.cdk.tools.ValencyChecker");
@@ -212,6 +221,31 @@ public void mouseMoved(MouseEvent event)
 		int mouseX = mouseCoords[0];
 		int mouseY = mouseCoords[1];
 		highlightNearestChemObject(mouseX, mouseY);
+		//this is the rotate feature
+		if(r2dm.getSelectedPart()!=null && r2dm.getHighlightedAtom()==null && r2dm.getHighlightedBond()==null && c2dm.getDrawMode() == Controller2DModel.LASSO){
+			double xmin=Double.MAX_VALUE;
+			double xmax=Double.MIN_VALUE;
+			double ymin=Double.MAX_VALUE;
+			double ymax=Double.MIN_VALUE;
+			for(int i=0;i<r2dm.getSelectedPart().getAtomCount();i++){
+				if(r2dm.getSelectedPart().getAtomAt(i).getPoint2d().x>xmax)
+					xmax=r2dm.getSelectedPart().getAtomAt(i).getPoint2d().x;
+				if(r2dm.getSelectedPart().getAtomAt(i).getPoint2d().y>ymax)
+					ymax=r2dm.getSelectedPart().getAtomAt(i).getPoint2d().y;
+				if(r2dm.getSelectedPart().getAtomAt(i).getPoint2d().x<xmin)
+					xmin=r2dm.getSelectedPart().getAtomAt(i).getPoint2d().x;
+				if(r2dm.getSelectedPart().getAtomAt(i).getPoint2d().y<ymin)
+					ymin=r2dm.getSelectedPart().getAtomAt(i).getPoint2d().y;
+			}
+			if(mouseCoords[0]>xmin && mouseCoords[0]<xmax && mouseCoords[1]>ymin && mouseCoords[1]<ymax){
+				//ok, we want to rotate
+				r2dm.setRotateCenter(xmin+(xmax-xmin)/2,ymin+(ymax-ymin)/2);
+				r2dm.setRotateRadius(Math.min((xmax-xmin)/4,(ymax-ymin)/4));
+			}
+		}else{
+			//no rotation
+			r2dm.setRotateRadius(0);
+		}
 	}
 
 
@@ -296,7 +330,25 @@ public void mouseDragged(MouseEvent event)
 			 *  undo and redo storage that it
 			 *  should not store this change
 			 */
-			isUndoableChange = false;
+            isUndoableChange = false;
+			fireChange();
+		} else if(dragMode==DRAG_ROTATE){
+			double angle=BondTools.giveAngleBothMethods(new Point2d(r2dm.getRotateCenter()[0],r2dm.getRotateCenter()[1]),new Point2d(prevDragCoordX,prevDragCoordY),new Point2d(mouseX, mouseY),true);
+			Polygon polygon=new Polygon();
+			for(int i=0;i<r2dm.getSelectedPart().getAtomCount();i++) {
+				polygon.addPoint((int)(r2dm.getSelectedPart().getAtomAt(i).getPoint2d().x*1000),(int)(r2dm.getSelectedPart().getAtomAt(i).getPoint2d().y*1000));
+			}
+			polygon.addPoint((int)(r2dm.getSelectedPart().getAtomAt(0).getPoint2d().x*1000),(int)(r2dm.getSelectedPart().getAtomAt(0).getPoint2d().y*1000));
+			AffineTransform at=AffineTransform.getRotateInstance(angle,r2dm.getRotateCenter()[0]*1000,r2dm.getRotateCenter()[1]*1000);
+			Shape transformedpolygon=at.createTransformedShape(polygon);
+			PathIterator pa=transformedpolygon.getPathIterator(null);
+			
+			for(int i=0;i<r2dm.getSelectedPart().getAtomCount();i++) {
+				pa.next();
+				double[] d=new double[6];
+				pa.currentSegment(d);
+				r2dm.getSelectedPart().getAtomAt(i).setPoint2d(new Point2d(d[0]/1000,d[1]/1000));
+			}
 			fireChange();
 		}
 
@@ -345,7 +397,7 @@ public void mousePressed(MouseEvent event)
 			r2dm.setPointerVectorStart(new Point(mouseX, mouseY));
 		}
 		
-		if(r2dm.getSelectedPart()!=null && !(r2dm.getSelectedPart().contains(atomInRange) || r2dm.getSelectedPart().contains(bondInRange))){
+		if(r2dm.getSelectedPart()!=null && !(r2dm.getSelectedPart().contains(atomInRange) || r2dm.getSelectedPart().contains(bondInRange)) && r2dm.getRotateRadius()==0){
 			r2dm.setSelectedPart(new org.openscience.cdk.AtomContainer());
 		}
 
@@ -369,7 +421,7 @@ public void mousePressed(MouseEvent event)
 		} else if (c2dm.getDrawMode() == Controller2DModel.SELECT)
 		{
 			dragMode = DRAG_MAKING_SQUARE_SELECTION;
-		} else if (c2dm.getDrawMode() == Controller2DModel.LASSO)
+		} else if (c2dm.getDrawMode() == Controller2DModel.LASSO && r2dm.getRotateRadius()==0)
 		{
 			if(r2dm.getSelectedPart()!=null && (r2dm.getSelectedPart().contains(r2dm.getHighlightedAtom()) || r2dm.getSelectedPart().contains(r2dm.getHighlightedBond()))){
 				if(r2dm.getSelectedPart().getAtomCount()>0)
@@ -385,7 +437,15 @@ public void mousePressed(MouseEvent event)
 				c2dm.getDrawMode() == Controller2DModel.BENZENERING)
 		{
 			dragMode = DRAG_DRAWING_PROPOSED_RING;
-		}			
+		} else if(r2dm.getRotateRadius()!=0){
+			dragMode = DRAG_ROTATE;
+		}
+		if(dragMode==DRAG_MOVING_SELECTED){
+			if (r2dm.getSelectedPart() != null && r2dm.getSelectedPart().getAtomAt(0) != null) {
+				moveoldX=r2dm.getSelectedPart().getAtomAt(0).getPoint2d().x;
+				moveoldY=r2dm.getSelectedPart().getAtomAt(0).getPoint2d().y;
+			}
+		}
 	}
 
 
@@ -411,184 +471,24 @@ public void mouseReleased(MouseEvent event)
 			int mouseY = mouseCoords[1];
 			if (c2dm.getDrawMode() == Controller2DModel.SYMBOL)
 			{
-
-				IAtom atomInRange = r2dm.getHighlightedAtom();
-				if (atomInRange != null)
-				{
-					if (currentCommonElement.get(atomInRange) == null)
-					{
-						currentCommonElement.put(atomInRange, new Integer(1));
-					}
-					int oldCommonElement = ((Integer) currentCommonElement.get(atomInRange)).intValue();
-					String symbol = (String) commonElements.elementAt(oldCommonElement);
-					if (!(atomInRange.getSymbol().equals(symbol)))
-					{
-						// only change symbol if needed
-                        String formerSymbol = atomInRange.getSymbol();
-						atomInRange.setSymbol(symbol);
-						// configure the atom, so that the atomic number matches the symbol
-						try
-						{
-							IsotopeFactory.getInstance(atomInRange.getBuilder()).configure(atomInRange);
-						} catch (Exception exception)
-						{
-							logger.error("Error while configuring atom");
-							logger.debug(exception);
-						}
-						// update atom
-						IAtomContainer container = getRelevantAtomContainer(chemModel, atomInRange);
-						updateAtom(container, atomInRange);
-
-						/*
-						 *  PRESERVE THIS. This notifies the
-						 *  the listener responsible for
-						 *  undo and redo storage that it
-						 *  should store this change of an atom symbol
-						 */
-						isUndoableChange = true;
-						/*
-						 *  ---
-						 */
-                        UndoableEdit  edit = new ChangeAtomSymbolEdit(atomInRange, formerSymbol, symbol);
-                        c2dm.getUndoSupport().postEdit(edit);
-						r2dm.fireChange();
-						fireChange();
-					}
-					oldCommonElement++;
-					if (oldCommonElement == commonElements.size())
-					{
-						oldCommonElement = 0;
-					}
-					currentCommonElement.put(atomInRange, new Integer(oldCommonElement));
-				}
+				changeSymbol();
 			}
 			if (c2dm.getDrawMode() == Controller2DModel.ELEMENT)
 			{
-				IAtom atomInRange = r2dm.getHighlightedAtom();
-				if (atomInRange != null)
-				{
-					String symbol = c2dm.getDrawElement();
-					if (!(atomInRange.getSymbol().equals(symbol)))
-					{
-						// only change symbol if needed
-						String formerSymbol = atomInRange.getSymbol();
-						atomInRange.setSymbol(symbol);
-						// configure the atom, so that the atomic number matches the symbol
-						try
-						{
-							IsotopeFactory.getInstance(atomInRange.getBuilder()).configure(atomInRange);
-						} catch (Exception exception)
-						{
-							logger.error("Error while configuring atom");
-							logger.debug(exception);
-						}
-						// update atom
-						IAtomContainer container = getRelevantAtomContainer(chemModel, atomInRange);
-						updateAtom(container, atomInRange);
-
-						/*
-						 *  PRESERVE THIS. This notifies the
-						 *  the listener responsible for
-						 *  undo and redo storage that it
-						 *  should store this change of an atom symbol
-						 */
-//						isUndoableChange = true;
-						/*
-						 *  ---
-						 */
-						// undoredo support
-            UndoableEdit  edit = new ChangeAtomSymbolEdit(atomInRange, formerSymbol, symbol);
-						c2dm.getUndoSupport().postEdit(edit);
-						r2dm.fireChange();
-						fireChange();
-					}
-				}else{
-					int startX = r2dm.getPointerVectorStart().x;
-					int startY = r2dm.getPointerVectorStart().y;
-					IAtom newAtom1 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(startX, startY));
-					IAtomContainer atomCon = ChemModelManipulator.createNewMolecule(chemModel);
-					atomCon.addAtom(newAtom1);
-					// update atoms
-					updateAtom(atomCon, newAtom1);
-					chemModel.getSetOfMolecules().addAtomContainer(atomCon);
-					//FIXME undoredo
-					r2dm.fireChange();
-					fireChange();
-				}
+				changeElement();
 			}
 
 			if (c2dm.getDrawMode() == Controller2DModel.INCCHARGE)
 			{
-				IAtom atomInRange = r2dm.getHighlightedAtom();
-				if (atomInRange != null)
-				{
-					int formerCharge = atomInRange.getFormalCharge();
-					atomInRange.setFormalCharge(atomInRange.getFormalCharge() + 1);
-
-					// update atom
-					IAtomContainer container = getRelevantAtomContainer(chemModel, atomInRange);
-					updateAtom(container, atomInRange);
-					//undoredo support
-                    UndoableEdit  edit = new ChangeChargeEdit(atomInRange, formerCharge, atomInRange.getFormalCharge());
-					c2dm.getUndoSupport().postEdit(edit);
-					r2dm.fireChange();
-					fireChange();
-				}
+				increaseCharge();
 			}
 			if (c2dm.getDrawMode() == Controller2DModel.ENTERELEMENT)
 			{
-				IAtom atomInRange = r2dm.getHighlightedAtom();
-				if (atomInRange != null)
-				{
-					String x=JOptionPane.showInputDialog(null,"Enter new element symbol");
-					try{
-						if(Character.isLowerCase(x.toCharArray()[0]))
-							x=Character.toUpperCase(x.charAt(0))+x.substring(1);
-						IsotopeFactory ifa=IsotopeFactory.getInstance(r2dm.getHighlightedAtom().getBuilder());
-						IIsotope iso=ifa.getMajorIsotope(x);
-						String formerSymbol=r2dm.getHighlightedAtom().getSymbol();
-						if(iso!=null)
-							r2dm.getHighlightedAtom().setSymbol(x);
-						// update atom
-						IAtomContainer container = getRelevantAtomContainer(chemModel, atomInRange);
-						updateAtom(container, atomInRange);
-
-						/*
-						 *  PRESERVE THIS. This notifies the
-						 *  the listener responsible for
-						 *  undo and redo storage that it
-						 *  should store this change of an atom symbol
-						 */
-//						isUndoableChange = true;
-						/*
-						 *  ---
-						 */
-						// undoredo support
-            UndoableEdit  edit = new ChangeAtomSymbolEdit(atomInRange, formerSymbol, x);
-						c2dm.getUndoSupport().postEdit(edit);
-						r2dm.fireChange();
-						fireChange();
-					}catch(Exception ex){
-						logger.debug(ex.getMessage()+" in SELECTELEMENT");
-					}
-				}
+				enterElement();
 			}
 			if (c2dm.getDrawMode() == Controller2DModel.DECCHARGE)
 			{
-				IAtom atomInRange = r2dm.getHighlightedAtom();
-				if (atomInRange != null)
-				{
-					int formerCharge = atomInRange.getFormalCharge();
-					atomInRange.setFormalCharge(atomInRange.getFormalCharge() - 1);
-					// update atom
-					IAtomContainer container = getRelevantAtomContainer(chemModel, atomInRange);
-					updateAtom(container, atomInRange);
-					//undoredo support
-                    UndoableEdit  edit = new ChangeChargeEdit(atomInRange, formerCharge, atomInRange.getFormalCharge());
-					c2dm.getUndoSupport().postEdit(edit);
-					r2dm.fireChange();
-					fireChange();
-				}
+				decreaseCharge();
 			}
 
 			if (c2dm.getDrawMode() == Controller2DModel.MAPATOMATOM)
@@ -598,231 +498,7 @@ public void mouseReleased(MouseEvent event)
       
 			if (c2dm.getDrawMode() == Controller2DModel.DRAWBOND || c2dm.getDrawMode() == Controller2DModel.DOWN_BOND || c2dm.getDrawMode() == Controller2DModel.UP_BOND)
 			{
-        logger.debug("mouseReleased->drawbond");
-				IAtom atomInRange;
-				IAtom newAtom1 = null;
-				IAtom newAtom2 = null;
-				IBond newBond = null;
-				int startX = r2dm.getPointerVectorStart().x;
-				int startY = r2dm.getPointerVectorStart().y;
-				IBond bondInRange = r2dm.getHighlightedBond();
-				//atomInRange = r2dm.getHighlightedAtom();
-				//Bond bondInRange = getBondInRange(mouseX, mouseY);
-				/*
-				 *  IMPORTANT: I don't use getHighlighteAtom()
-				 *  here because of the special case of
-				 *  only one atom on the screen.
-				 *  In this case, this atom will not detected
-				 *  if the mouse hasn't moved after it's creation
-				 */
-				atomInRange = getAtomInRange(mouseX, mouseY);
-				if (bondInRange != null)
-				{
-					IBond formerBond = (IBond) bondInRange.clone();
-					if (c2dm.getDrawMode() == Controller2DModel.DRAWBOND){
-            // increase Bond order
-            double order = bondInRange.getOrder();
-            if (order >= CDKConstants.BONDORDER_TRIPLE)
-            {
-              bondInRange.setOrder(CDKConstants.BONDORDER_SINGLE);
-            } else
-            {
-              bondInRange.setOrder(order + 1.0);
-              // this is tricky as it depends on the fact that the
-              // constants are unidistant, i.e. {1.0, 2.0, 3.0}.
-            }
-            ;
-            // update atoms
-            org.openscience.cdk.interfaces.IAtom[] atoms = bondInRange.getAtoms();
-            IAtomContainer container = getRelevantAtomContainer(chemModel, atoms[0]);
-            updateAtoms(container, atoms);
-          }else if(c2dm.getDrawMode() == Controller2DModel.DOWN_BOND){
-            // toggle bond stereo
-            double stereo = bondInRange.getStereo();
-            if (stereo == CDKConstants.STEREO_BOND_DOWN)
-            {
-              bondInRange.setStereo(CDKConstants.STEREO_BOND_DOWN_INV);
-            } else if (stereo == CDKConstants.STEREO_BOND_DOWN_INV)
-            {
-              bondInRange.setStereo(CDKConstants.STEREO_BOND_NONE);
-            } else
-            {
-              bondInRange.setStereo(CDKConstants.STEREO_BOND_DOWN);
-            }
-          }else{
-            // toggle bond stereo
-            double stereo = bondInRange.getStereo();
-            if (stereo == CDKConstants.STEREO_BOND_UP)
-            {
-              bondInRange.setStereo(CDKConstants.STEREO_BOND_UP_INV);
-            } else if (stereo == CDKConstants.STEREO_BOND_UP_INV)
-            {
-              bondInRange.setStereo(CDKConstants.STEREO_BOND_NONE);
-            } else
-            {
-              bondInRange.setStereo(CDKConstants.STEREO_BOND_UP);
-            }
-          }           
-					/*
-					 *  PRESERVE THIS. This notifies the
-					 *  the listener responsible for
-					 *  undo and redo storage that it
-					 *  should store this change of an atom symbol
-					 */
-					isUndoableChange = true;
-					/*
-					 *  ---
-					 */
-					UndoableEdit  edit = new BondChangeEdit(chemModel, formerBond, bondInRange);
-					c2dm.getUndoSupport().postEdit(edit);
-				} else
-				{
-					IAtomContainer undoRedoContainer = new org.openscience.cdk.AtomContainer();
-					if (atomInRange != null)
-					{
-						logger.debug("We had an atom in range");
-						newAtom1 = atomInRange;
-					} else if (!wasDragged)
-					{
-						// create a new molecule
-						logger.debug("We make a new molecule");
-						newAtom1 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(startX, startY));
-						IAtomContainer atomCon = ChemModelManipulator.createNewMolecule(chemModel);
-						atomCon.addAtom(newAtom1);
-						// update atoms
-						updateAtom(atomCon, newAtom1);
-						undoRedoContainer.add(atomCon);
-					}
-
-					if (wasDragged)
-					{
-						if (dragMode == DRAG_DRAWING_PROPOSED_BOND)
-						{
-							int endX = r2dm.getPointerVectorEnd().x;
-							int endY = r2dm.getPointerVectorEnd().y;
-							atomInRange = getAtomInRange(endX, endY);
-							IAtomContainer atomCon = getAllInOneContainer(chemModel);
-							if (atomInRange != null)
-							{
-								logger.debug("*** atom in range");
-
-								newAtom2 = atomInRange;
-								logger.debug("atomCon.getAtomCount() " + atomCon.getAtomCount());
-							} else
-							{
-								logger.debug("*** new atom");
-								newAtom2 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(endX, endY));
-								atomCon.addAtom(newAtom2);
-								undoRedoContainer.addAtom(newAtom2);
-							}
-							newAtom1 = lastAtomInRange;
-							if (newAtom1 == null)
-							{
-								newAtom1 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(r2dm.getPointerVectorStart().x, r2dm.getPointerVectorStart().y));
-								undoRedoContainer.addAtom(newAtom1);
-							}
-							if (newAtom1 != newAtom2)
-							{
-								newBond = new org.openscience.cdk.Bond(newAtom1, newAtom2, 1);
-                if(c2dm.getDrawMode() == Controller2DModel.UP_BOND)
-                  newBond.setStereo(CDKConstants.STEREO_BOND_UP);
-                if(c2dm.getDrawMode() == Controller2DModel.DOWN_BOND)
-                  newBond.setStereo(CDKConstants.STEREO_BOND_DOWN);
-                logger.debug(newAtom1 + " - " + newAtom2);
-								atomCon.addBond(newBond);
-								undoRedoContainer.addBond(newBond);
-							}
-
-							try
-							{
-								ISetOfMolecules setOfMolecules = ConnectivityChecker.partitionIntoMolecules(atomCon);
-								chemModel.setSetOfMolecules(setOfMolecules);
-								logger.debug("We have " + setOfMolecules.getAtomContainerCount() + " molecules on screen");
-							} catch (Exception exception)
-							{
-								logger.warn("Could not partition molecule: ", exception.getMessage());
-								logger.debug(exception);
-								return;
-							}
-
-							// update atoms
-							updateAtom(atomCon, newAtom2);
-
-							/*
-							 *  PRESERVE THIS. This notifies the
-							 *  the listener responsible for
-							 *  undo and redo storage that it
-							 *  should store this change of an atom symbol
-							 */
-							isUndoableChange = true;
-							/*
-							 *  ---
-							 */
-						}
-					} else if (atomInRange != null)
-					{
-						// add a new atom to the current atom in some random
-						// direction
-						IAtomContainer atomCon = getRelevantAtomContainer(chemModel, atomInRange);
-						newAtom2 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), atomInRange.getPoint2d());
-
-						// now create 2D coords for new atom
-						double bondLength = r2dm.getBondLength();
-						IAtom[] connectedAtoms = atomCon.getConnectedAtoms(atomInRange);
-						logger.debug("connectedAtoms.length: " + connectedAtoms.length);
-						IAtomContainer placedAtoms = new org.openscience.cdk.AtomContainer();
-						//placedAtoms.addAtom(atomInRange);
-						for (int i = 0; i < connectedAtoms.length; i++)
-						{
-							placedAtoms.addAtom(connectedAtoms[i]);
-						}
-						IAtomContainer unplacedAtoms = new org.openscience.cdk.AtomContainer();
-						unplacedAtoms.addAtom(newAtom2);
-						AtomPlacer atomPlacer = new AtomPlacer();
-						atomPlacer.setMolecule(new org.openscience.cdk.Molecule(atomCon));
-						Point2d center2D = GeometryTools.get2DCenter(placedAtoms);
-						logger.debug("placedAtoms.getAtomCount(): " + placedAtoms.getAtomCount());
-						logger.debug("unplacedAtoms.getAtomCount(): " + unplacedAtoms.getAtomCount());
-						if (placedAtoms.getAtomCount() == 1)
-						{
-							Vector2d bondVector = atomPlacer.getNextBondVector(
-									atomInRange, placedAtoms.getAtomAt(0), 
-									GeometryTools.get2DCenter(new org.openscience.cdk.Molecule(atomCon)),
-									false // FIXME: is this correct? (see SF bug #1367002)
-							);
-							Point2d atomPoint = new Point2d(atomInRange.getPoint2d());
-							bondVector.normalize();
-							bondVector.scale(bondLength);
-							atomPoint.add(bondVector);
-							newAtom2.setPoint2d(atomPoint);
-
-						} else
-						{
-							atomPlacer.distributePartners(atomInRange, placedAtoms, center2D,
-									unplacedAtoms, bondLength);
-						}
-
-						// now add the new atom
-						atomCon.addAtom(newAtom2);
-						undoRedoContainer.addAtom(newAtom2);
-						newBond=new org.openscience.cdk.Bond(atomInRange, newAtom2, 1.0);
-						atomCon.addBond(newBond);
-						undoRedoContainer.addBond(newBond);
-						if(c2dm.getDrawMode() == Controller2DModel.UP_BOND)
-							newBond.setStereo(CDKConstants.STEREO_BOND_UP);
-						if(c2dm.getDrawMode() == Controller2DModel.DOWN_BOND)
-							newBond.setStereo(CDKConstants.STEREO_BOND_DOWN);
-						// update atoms
-						updateAtom(atomCon, atomInRange);
-						updateAtom(atomCon, newAtom2);
-					}
-					UndoableEdit  edit = new AddAtomsAndBondsEdit(chemModel, undoRedoContainer, "Add Bond");
-					c2dm.getUndoSupport().postEdit(edit);
-				}
-				r2dm.fireChange();
-				fireChange();
-				centerAtom(newAtom1,chemModel);
-				centerAtom(newAtom2,chemModel);
+				drawBond(mouseX, mouseY);
 			}
 
 			if (c2dm.getDrawMode() == Controller2DModel.SELECT && wasDragged)
@@ -837,423 +513,910 @@ public void mouseReleased(MouseEvent event)
 
 			if (c2dm.getDrawMode() == Controller2DModel.ERASER)
 			{
-				IAtomContainer undoRedoContainer = new org.openscience.cdk.AtomContainer();
-				String type = null;
-				IAtom highlightedAtom = r2dm.getHighlightedAtom();
-				IBond highlightedBond = r2dm.getHighlightedBond();
-				if (highlightedAtom != null)
-				{
-					logger.info("User asks to delete an Atom");
-					IAtomContainer container = getAllInOneContainer(chemModel);
-					logger.debug("Atoms before delete: ", container.getAtomCount());
-					ChemModelManipulator.removeAtomAndConnectedElectronContainers(chemModel, highlightedAtom);
-					undoRedoContainer.addAtom(highlightedAtom);
-					if (type == null) {
-						type = "Remove Atom";
-					}
-					else {
-						type = "Remove Substructure";
-					}
-					container = getAllInOneContainer(chemModel);
-					logger.debug("Atoms before delete: ", container.getAtomCount());
-					// update atoms
-					IAtom[] atoms = container.getConnectedAtoms(highlightedAtom);
-					if (atoms.length > 0)
-					{
-						IAtomContainer atomCon = getRelevantAtomContainer(chemModel, atoms[0]);
-						updateAtoms(atomCon, atoms);
-					}
-				} else if (highlightedBond != null)
+				eraseSelection();
+			}
+
+			if (c2dm.getDrawMode() == Controller2DModel.RING || c2dm.getDrawMode() == Controller2DModel.BENZENERING)
+			{
+				drawRing(mouseX, mouseY);
+			}
+
+			if (c2dm.getDrawMode() == Controller2DModel.LASSO && r2dm.getRotateRadius()==0)
+			{
+				// first deselect all atoms
+				r2dm.setSelectedPart(new org.openscience.cdk.AtomContainer());
+				// now select new atoms
+				if (wasDragged)
 				{
-					logger.info("User asks to delete a Bond");
-					ChemModelManipulator.removeElectronContainer(chemModel, highlightedBond);
-					undoRedoContainer.addBond(highlightedBond);
-					if (type == null) {
-						type = "Remove Bond";
-					}
-					else {
-						type = "Remove Substructure";
-					}
-					// update atoms
-					org.openscience.cdk.interfaces.IAtom[] atoms = highlightedBond.getAtoms();
-					IAtomContainer container = getRelevantAtomContainer(chemModel, atoms[0]);
-					updateAtoms(container, atoms);
+					lassoSelection();
+
 				} else
 				{
-					logger.warn("Cannot deleted if nothing is highlighted");
-					return;
+					singleObjectSelected(mouseX, mouseY);
 				}
-				/*
-				 *  PRESERVE THIS. This notifies the
-				 *  the listener responsible for
-				 *  undo and redo storage that it
-				 *  should store this change of an atom symbol
-				 */
-				isUndoableChange = true;
-				/*
-				 *  ---
-				 */
-				UndoableEdit  edit = new RemoveAtomsAndBondsEdit(chemModel, undoRedoContainer, type);
-				c2dm.getUndoSupport().postEdit(edit);
-				r2dm.fireChange();
 				fireChange();
 			}
 
-			if (c2dm.getDrawMode() == Controller2DModel.RING || c2dm.getDrawMode() == Controller2DModel.BENZENERING)
+			if (wasDragged)
+			{
+				prevDragCoordX = 0;
+				prevDragCoordY = 0;
+				wasDragged = false;
+			}
+			if (dragMode==DRAG_MOVING_SELECTED){
+				dragAndDropSelection();
+			}
+			
+			if (c2dm.getDrawMode() == Controller2DModel.MOVE)
+			{
+				if (draggingSelected == false)
+				{					
+					// then it was dragging nearest Bond or Atom
+					r2dm.setSelectedPart(new org.openscience.cdk.AtomContainer());
+				}
+				if(r2dm.getMerge().size()>0){
+					mergeMolecules();
+				}
+			} 
+			
+			dragMode = DRAG_UNSET;
+			r2dm.setPointerVectorStart(null);
+			r2dm.setPointerVectorEnd(null);
+		}
+		if (shiftX != 0 || shiftY != 0)
+		{
+			shiftMolecule();
+		}
+		shiftX = 0;
+		shiftY = 0;
+	}
+
+
+	private void shiftMolecule() {
+		for (int i = 0; i < chemModel.getSetOfMolecules().getMoleculeCount(); i++)
+		{
+			IMolecule mol = chemModel.getSetOfMolecules().getMolecules()[i];
+			for (int k = 0; k < mol.getAtomCount(); k++)
 			{
-				IAtomContainer undoRedoContainer = new org.openscience.cdk.AtomContainer();
-				IRing newRing = null;
-				Point2d sharedAtomsCenter;
-				Vector2d ringCenterVector;
-				double bondLength;
-				int pointerMarkX;
-				int pointerMarkY;
+				mol.getAtomAt(k).setX2d(mol.getAtomAt(k).getX2d() - shiftX);
+				mol.getAtomAt(k).setY2d(mol.getAtomAt(k).getY2d() - shiftY);
+			}
+		}
+		r2dm.fireChange();
+		fireChange();
+	}
 
-				double ringRadius;
+	private void dragAndDropSelection() {
+		double deltaX=0;
+		double deltaY=0;
+		IAtomContainer undoredoContainer = new org.openscience.cdk.AtomContainer();
+		if(r2dm.getSelectedPart()!=null && r2dm.getSelectedPart().getAtomCount()>0){
+			undoredoContainer.add(r2dm.getSelectedPart());
+			deltaX=r2dm.getSelectedPart().getAtomAt(0).getPoint2d().x-moveoldX;
+			deltaY=r2dm.getSelectedPart().getAtomAt(0).getPoint2d().y-moveoldY;
+			
+		}else if(r2dm.getHighlightedAtom()!=null){
+			deltaX=r2dm.getHighlightedAtom().getPoint2d().x-moveoldX;
+			deltaY=r2dm.getHighlightedAtom().getPoint2d().y-moveoldY;
+			undoredoContainer.addAtom(r2dm.getHighlightedAtom());
+		}else if (r2dm.getHighlightedBond()!=null){
+			deltaX=r2dm.getHighlightedBond().getAtomAt(0).getPoint2d().x-moveoldX;
+			deltaY=r2dm.getHighlightedBond().getAtomAt(0).getPoint2d().y-moveoldY;	
+		}
+		UndoableEdit edit = new MoveAtomEdit(undoredoContainer, (int)deltaX, (int)deltaY);
+		c2dm.getUndoSupport().postEdit(edit);
+	}
 
-				double angle;
+	private void mergeMolecules() {
+		Iterator it=r2dm.getMerge().keySet().iterator();
+		IBond[] bondson2 = null;
+		IAtom atom2 = null;
+		IAtom atom1 = null;
+		ArrayList undoredoContainer = new ArrayList();
+		while(it.hasNext()){
+			Object[] undoObject = new Object[3];
+			atom1=(IAtom)it.next();
+			atom2=(IAtom)r2dm.getMerge().get(atom1);
+			undoObject[0] = atom1;
+			undoObject[1] = atom2;
+			ISetOfMolecules som=chemModel.getSetOfMolecules();
+			IAtomContainer container1 = ChemModelManipulator.getRelevantAtomContainer(chemModel, atom1);
+			IAtomContainer container2 = ChemModelManipulator.getRelevantAtomContainer(chemModel, atom2);
+			if (container1 != container2) {
+				container1.add(container2);
+				som.removeAtomContainer(container2);
+			}
+			bondson2=container1.getConnectedBonds(atom2);
+			undoObject[2] = bondson2;
+			undoredoContainer.add(undoObject);
+			for(int i=0;i<bondson2.length;i++){
+				if(bondson2[i].getAtomAt(0)==atom2)
+					bondson2[i].setAtomAt(atom1,0);
+				if(bondson2[i].getAtomAt(1)==atom2)
+					bondson2[i].setAtomAt(atom1,1);
+				if(bondson2[i].getAtomAt(0)==bondson2[i].getAtomAt(1)){
+					container1.removeElectronContainer(bondson2[i]);
+				}
+			}
+			container1.removeAtom(atom2);
+		}
+		UndoableEdit  edit = new MergeMoleculesEdit(chemModel, undoredoContainer, "Molecules merged");
+		c2dm.getUndoSupport().postEdit(edit);
+		r2dm.getMerge().clear();
+	}
 
-				double xDiff;
+	private void singleObjectSelected(int mouseX, int mouseY) {
+//		 one atom clicked or one bond clicked
+		IChemObject chemObj = getChemObjectInRange(mouseX, mouseY);
+		IAtomContainer container = new org.openscience.cdk.AtomContainer();
+		if (chemObj instanceof IAtom)
+		{
+			container.addAtom((IAtom) chemObj);
+			logger.debug("selected one atom in lasso mode");
+			r2dm.setSelectedPart(container);
+		} else if (chemObj instanceof IBond)
+		{
+			IBond bond = (IBond) chemObj;
+			container.addBond(bond);
+			logger.debug("selected one bond in lasso mode");
+			IAtom[] atoms = bond.getAtoms();
+			for (int i = 0; i < atoms.length; i++)
+			{
+				container.addAtom(atoms[i]);
+			}
+			r2dm.setSelectedPart(container);
+		}
+	}
+
+	private void lassoSelection() {
+		Vector lassoPoints = r2dm.getLassoPoints();
+		r2dm.addLassoPoint(new Point((Point) lassoPoints.elementAt(0)));
+		int number = lassoPoints.size();
+		logger.debug("# lasso points: ", number);
+		int[] screenLassoCoords = new int[number * 2];
+		Point currentPoint;
+		for (int i = 0; i < number; i++)
+		{
+			currentPoint = (Point) lassoPoints.elementAt(i);
+			screenLassoCoords[i * 2] = currentPoint.x;
+			screenLassoCoords[i * 2 + 1] = currentPoint.y;
+			logger.debug("ScreenLasso.x = ", screenLassoCoords[i * 2]);
+			logger.debug("ScreenLasso.y = ", screenLassoCoords[i * 2 + 1]);
+		}
+		/*
+		 *  Convert points to world coordinates as they are
+		 *  in screen coordinates in the vector
+		 */
+		int[] worldCoords = getWorldCoordinates(screenLassoCoords);
+		logger.debug("Returned coords: ", worldCoords.length);
+		logger.debug("       # points: ", number);
+		int[] xPoints = new int[number];
+		int[] yPoints = new int[number];
+		for (int i = 0; i < number; i++)
+		{
+			xPoints[i] = worldCoords[i * 2];
+			yPoints[i] = worldCoords[i * 2 + 1];
+			logger.debug("WorldCoords.x  = ", worldCoords[i * 2]);
+			logger.debug("WorldCoords.y  = ", worldCoords[i * 2 + 1]);
+			logger.debug("Polygon.x = ", xPoints[i]);
+			logger.debug("Polygon.y = ", yPoints[i]);
+		}
+		Polygon polygon = new Polygon(xPoints, yPoints, number);
+		r2dm.setSelectedPart(getContainedAtoms(polygon));
+		r2dm.getLassoPoints().removeAllElements();
+		r2dm.fireChange();
+	}
 
-				double yDiff;
+	private void drawRing(int mouseX, int mouseY) {
+		IAtomContainer undoRedoContainer = new org.openscience.cdk.AtomContainer();
+		IRing newRing = null;
+		Point2d sharedAtomsCenter;
+		Vector2d ringCenterVector;
+		double bondLength;
+		int pointerMarkX;
+		int pointerMarkY;
 
-				double distance1 = 0;
+		double ringRadius;
 
-				double distance2 = 0;
-				IAtom firstAtom;
-				IAtom secondAtom;
-				IAtom spiroAtom;
-				Point2d conAtomsCenter = null;
-				Point2d newPoint1;
-				Point2d newPoint2;
+		double angle;
 
-				RingPlacer ringPlacer = new RingPlacer();
-				int ringSize = c2dm.getRingSize();
-				String symbol = c2dm.getDrawElement();
-				IAtomContainer sharedAtoms = getHighlighted();
+		double xDiff;
 
-				if (sharedAtoms.getAtomCount() == 0)
+		double yDiff;
+
+		double distance1 = 0;
+
+		double distance2 = 0;
+		IAtom firstAtom;
+		IAtom secondAtom;
+		IAtom spiroAtom;
+		Point2d conAtomsCenter = null;
+		Point2d newPoint1;
+		Point2d newPoint2;
+
+		RingPlacer ringPlacer = new RingPlacer();
+		int ringSize = c2dm.getRingSize();
+		String symbol = c2dm.getDrawElement();
+		IAtomContainer sharedAtoms = getHighlighted();
+
+		if (sharedAtoms.getAtomCount() == 0)
+		{
+			sharedAtoms = new org.openscience.cdk.AtomContainer();
+			newRing = new org.openscience.cdk.Ring(ringSize, symbol);
+			if (c2dm.getDrawMode() == Controller2DModel.BENZENERING)
+			{
+				// make newRing a benzene ring
+				IBond[] bonds = newRing.getBonds();
+				bonds[0].setOrder(2.0);
+				bonds[2].setOrder(2.0);
+				bonds[4].setOrder(2.0);
+				makeRingAromatic(newRing);
+			}
+			bondLength = r2dm.getBondLength();
+			ringRadius = (bondLength / 2) / Math.sin(Math.PI / c2dm.getRingSize());
+			sharedAtomsCenter = new Point2d(mouseX, mouseY - ringRadius);
+			firstAtom = newRing.getAtomAt(0);
+			firstAtom.setPoint2d(sharedAtomsCenter);
+			sharedAtoms.addAtom(firstAtom);
+			ringCenterVector = new Vector2d(new Point2d(mouseX, mouseY));
+			ringCenterVector.sub(sharedAtomsCenter);
+			ringPlacer.placeSpiroRing(newRing, sharedAtoms, sharedAtomsCenter, ringCenterVector, bondLength);
+			IAtomContainer atomCon = ChemModelManipulator.createNewMolecule(chemModel);
+			atomCon.add(newRing);
+			undoRedoContainer.add(newRing);
+		} else if (sharedAtoms.getAtomCount() == 1)
+		{
+			spiroAtom = sharedAtoms.getAtomAt(0);
+			sharedAtomsCenter = GeometryTools.get2DCenter(sharedAtoms);
+			newRing = createAttachRing(sharedAtoms, ringSize, symbol);
+			if (c2dm.getDrawMode() == Controller2DModel.BENZENERING)
+			{
+				// make newRing a benzene ring
+				IBond[] bonds = newRing.getBonds();
+				bonds[0].setOrder(2.0);
+				bonds[2].setOrder(2.0);
+				bonds[4].setOrder(2.0);
+				makeRingAromatic(newRing);
+			}
+			bondLength = r2dm.getBondLength();
+			conAtomsCenter = getConnectedAtomsCenter(sharedAtoms);
+			if (conAtomsCenter.equals(spiroAtom.getPoint2d()))
+			{
+				ringCenterVector = new Vector2d(0, 1);
+			} else
+			{
+				ringCenterVector = new Vector2d(sharedAtomsCenter);
+				ringCenterVector.sub(conAtomsCenter);
+			}
+			ringPlacer.placeSpiroRing(newRing, sharedAtoms, sharedAtomsCenter, ringCenterVector, bondLength);
+			// removes the highlighed atom from the ring to add only the new placed
+			// atoms to the AtomContainer.
+			try
+			{
+				newRing.removeAtom(spiroAtom);
+			} catch (Exception exc)
+			{
+				logger.error("Could not remove atom from ring");
+				logger.debug(exc);
+			}
+			IAtomContainer atomCon = ChemModelManipulator.getRelevantAtomContainer(chemModel, spiroAtom);
+			atomCon.add(newRing);
+			undoRedoContainer.add(newRing);
+		} else if (sharedAtoms.getAtomCount() == 2)
+		{
+			sharedAtomsCenter = GeometryTools.get2DCenter(sharedAtoms);
+
+			// calculate two points that are perpendicular to the highlighted bond
+			// and have a certain distance from the bondcenter
+			firstAtom = sharedAtoms.getAtomAt(0);
+			secondAtom = sharedAtoms.getAtomAt(1);
+			xDiff = secondAtom.getX2d() - firstAtom.getX2d();
+			yDiff = secondAtom.getY2d() - firstAtom.getY2d();
+			bondLength = Math.sqrt(Math.pow(xDiff, 2) + Math.pow(yDiff, 2));
+			angle = GeometryTools.getAngle(xDiff, yDiff);
+			newPoint1 = new Point2d((Math.cos(angle + (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.x, (Math.sin(angle + (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.y);
+			newPoint2 = new Point2d((Math.cos(angle - (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.x, (Math.sin(angle - (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.y);
+
+			if (wasDragged)
+			{
+				// check which one of the two points is nearest to the endpoint of the pointer
+				// vector that was dragged to make the ringCenterVector point into the right direction.
+				pointerMarkX = r2dm.getPointerVectorEnd().x;
+				pointerMarkY = r2dm.getPointerVectorEnd().y;
+				distance1 = -1 * (Math.sqrt(Math.pow(newPoint1.x - pointerMarkX, 2) + Math.pow(newPoint1.y - pointerMarkY, 2)));
+				distance2 = -1 * (Math.sqrt(Math.pow(newPoint2.x - pointerMarkX, 2) + Math.pow(newPoint2.y - pointerMarkY, 2)));
+				r2dm.setPointerVectorStart(null);
+				r2dm.setPointerVectorEnd(null);
+			} else
+			{
+				// check which one of the two points is nearest to the center of the
+				// connected atoms to make the ringCenterVector point into the right direction.
+				conAtomsCenter = getConnectedAtomsCenter(sharedAtoms);
+				distance1 = Math.sqrt(Math.pow(newPoint1.x - conAtomsCenter.x, 2) + Math.pow(newPoint1.y - conAtomsCenter.y, 2));
+				distance2 = Math.sqrt(Math.pow(newPoint2.x - conAtomsCenter.x, 2) + Math.pow(newPoint2.y - conAtomsCenter.y, 2));
+			}
+			ringCenterVector = new Vector2d(sharedAtomsCenter);
+			// no ring is attached if the two ditances are equal
+			if (distance1 == distance2)
+			{
+				logger.warn("don't know where to draw the new Ring");
+			} else
+			{
+				if (distance1 < distance2)
 				{
-					sharedAtoms = new org.openscience.cdk.AtomContainer();
-					newRing = new org.openscience.cdk.Ring(ringSize, symbol);
-					if (c2dm.getDrawMode() == Controller2DModel.BENZENERING)
-					{
-						// make newRing a benzene ring
-						IBond[] bonds = newRing.getBonds();
-						bonds[0].setOrder(2.0);
-						bonds[2].setOrder(2.0);
-						bonds[4].setOrder(2.0);
-						makeRingAromatic(newRing);
-					}
-					bondLength = r2dm.getBondLength();
-					ringRadius = (bondLength / 2) / Math.sin(Math.PI / c2dm.getRingSize());
-					sharedAtomsCenter = new Point2d(mouseX, mouseY - ringRadius);
-					firstAtom = newRing.getAtomAt(0);
-					firstAtom.setPoint2d(sharedAtomsCenter);
-					sharedAtoms.addAtom(firstAtom);
-					ringCenterVector = new Vector2d(new Point2d(mouseX, mouseY));
-					ringCenterVector.sub(sharedAtomsCenter);
-					ringPlacer.placeSpiroRing(newRing, sharedAtoms, sharedAtomsCenter, ringCenterVector, bondLength);
-					IAtomContainer atomCon = ChemModelManipulator.createNewMolecule(chemModel);
-					atomCon.add(newRing);
-					undoRedoContainer.add(newRing);
-				} else if (sharedAtoms.getAtomCount() == 1)
+					ringCenterVector.sub(newPoint1);
+				} else if (distance2 < distance1)
 				{
-					spiroAtom = sharedAtoms.getAtomAt(0);
-					sharedAtomsCenter = GeometryTools.get2DCenter(sharedAtoms);
-					newRing = createAttachRing(sharedAtoms, ringSize, symbol);
-					if (c2dm.getDrawMode() == Controller2DModel.BENZENERING)
-					{
-						// make newRing a benzene ring
-						IBond[] bonds = newRing.getBonds();
-						bonds[0].setOrder(2.0);
-						bonds[2].setOrder(2.0);
-						bonds[4].setOrder(2.0);
-						makeRingAromatic(newRing);
-					}
-					bondLength = r2dm.getBondLength();
-					conAtomsCenter = getConnectedAtomsCenter(sharedAtoms);
-					if (conAtomsCenter.equals(spiroAtom.getPoint2d()))
-					{
-						ringCenterVector = new Vector2d(0, 1);
-					} else
-					{
-						ringCenterVector = new Vector2d(sharedAtomsCenter);
-						ringCenterVector.sub(conAtomsCenter);
-					}
-					ringPlacer.placeSpiroRing(newRing, sharedAtoms, sharedAtomsCenter, ringCenterVector, bondLength);
-					// removes the highlighed atom from the ring to add only the new placed
-					// atoms to the AtomContainer.
-					try
-					{
-						newRing.removeAtom(spiroAtom);
-					} catch (Exception exc)
-					{
-						logger.error("Could not remove atom from ring");
-						logger.debug(exc);
-					}
-					IAtomContainer atomCon = getRelevantAtomContainer(chemModel, spiroAtom);
-					atomCon.add(newRing);
-					undoRedoContainer.add(newRing);
-				} else if (sharedAtoms.getAtomCount() == 2)
+					ringCenterVector.sub(newPoint2);
+				}
+
+				IAtomContainer atomCon = ChemModelManipulator.getRelevantAtomContainer(chemModel, firstAtom);
+
+				// construct a new Ring that contains the highlighted bond an its two atoms
+				newRing = createAttachRing(sharedAtoms, ringSize, symbol);
+				if (c2dm.getDrawMode() == Controller2DModel.BENZENERING)
 				{
-					sharedAtomsCenter = GeometryTools.get2DCenter(sharedAtoms);
-
-					// calculate two points that are perpendicular to the highlighted bond
-					// and have a certain distance from the bondcenter
-					firstAtom = sharedAtoms.getAtomAt(0);
-					secondAtom = sharedAtoms.getAtomAt(1);
-					xDiff = secondAtom.getX2d() - firstAtom.getX2d();
-					yDiff = secondAtom.getY2d() - firstAtom.getY2d();
-					bondLength = Math.sqrt(Math.pow(xDiff, 2) + Math.pow(yDiff, 2));
-					angle = GeometryTools.getAngle(xDiff, yDiff);
-					newPoint1 = new Point2d((Math.cos(angle + (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.x, (Math.sin(angle + (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.y);
-					newPoint2 = new Point2d((Math.cos(angle - (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.x, (Math.sin(angle - (Math.PI / 2)) * bondLength / 4) + sharedAtomsCenter.y);
-
-					if (wasDragged)
-					{
-						// check which one of the two points is nearest to the endpoint of the pointer
-						// vector that was dragged to make the ringCenterVector point into the right direction.
-						pointerMarkX = r2dm.getPointerVectorEnd().x;
-						pointerMarkY = r2dm.getPointerVectorEnd().y;
-						distance1 = -1 * (Math.sqrt(Math.pow(newPoint1.x - pointerMarkX, 2) + Math.pow(newPoint1.y - pointerMarkY, 2)));
-						distance2 = -1 * (Math.sqrt(Math.pow(newPoint2.x - pointerMarkX, 2) + Math.pow(newPoint2.y - pointerMarkY, 2)));
-						r2dm.setPointerVectorStart(null);
-						r2dm.setPointerVectorEnd(null);
-					} else
-					{
-						// check which one of the two points is nearest to the center of the
-						// connected atoms to make the ringCenterVector point into the right direction.
-						conAtomsCenter = getConnectedAtomsCenter(sharedAtoms);
-						distance1 = Math.sqrt(Math.pow(newPoint1.x - conAtomsCenter.x, 2) + Math.pow(newPoint1.y - conAtomsCenter.y, 2));
-						distance2 = Math.sqrt(Math.pow(newPoint2.x - conAtomsCenter.x, 2) + Math.pow(newPoint2.y - conAtomsCenter.y, 2));
-					}
-					ringCenterVector = new Vector2d(sharedAtomsCenter);
-					// no ring is attached if the two ditances are equal
-					if (distance1 == distance2)
-					{
-						logger.warn("don't know where to draw the new Ring");
-					} else
+					// make newRing a benzene ring
+					IBond existingBond = atomCon.getBond(firstAtom, secondAtom);
+					IBond[] bonds = newRing.getBonds();
+
+					if (existingBond.getOrder() == 1.0)
 					{
-						if (distance1 < distance2)
+						if (existingBond.getFlag(CDKConstants.ISAROMATIC))
 						{
-							ringCenterVector.sub(newPoint1);
-						} else if (distance2 < distance1)
+							bonds[2].setOrder(2.0);
+							bonds[4].setOrder(2.0);
+						} else
 						{
-							ringCenterVector.sub(newPoint2);
+							bonds[1].setOrder(2.0);
+							bonds[3].setOrder(2.0);
+							bonds[5].setOrder(2.0);
 						}
+					} else
+					{
+						bonds[2].setOrder(2.0);
+						bonds[4].setOrder(2.0);
+					}
+					makeRingAromatic(newRing);
+				}
 
-						IAtomContainer atomCon = getRelevantAtomContainer(chemModel, firstAtom);
+				// place the new atoms of the new ring to the right position
+				ringPlacer.placeFusedRing(newRing, sharedAtoms, sharedAtomsCenter, ringCenterVector, bondLength);
 
-						// construct a new Ring that contains the highlighted bond an its two atoms
-						newRing = createAttachRing(sharedAtoms, ringSize, symbol);
-						if (c2dm.getDrawMode() == Controller2DModel.BENZENERING)
-						{
-							// make newRing a benzene ring
-							IBond existingBond = atomCon.getBond(firstAtom, secondAtom);
-							IBond[] bonds = newRing.getBonds();
-
-							if (existingBond.getOrder() == 1.0)
-							{
-								if (existingBond.getFlag(CDKConstants.ISAROMATIC))
-								{
-									bonds[2].setOrder(2.0);
-									bonds[4].setOrder(2.0);
-								} else
-								{
-									bonds[1].setOrder(2.0);
-									bonds[3].setOrder(2.0);
-									bonds[5].setOrder(2.0);
-								}
-							} else
-							{
-								bonds[2].setOrder(2.0);
-								bonds[4].setOrder(2.0);
-							}
-							makeRingAromatic(newRing);
-						}
+				// removes the highlighed bond and its atoms from the ring to add only
+				// the new placed atoms to the AtomContainer.
+				try
+				{
+					newRing.remove(sharedAtoms);
+				} catch (Exception exc)
+				{
+					logger.error("Could not remove atom from ring");
+					logger.debug(exc);
+				}
+				atomCon.add(newRing);
+			}
+		}
+		double highlightRadius = r2dm.getHighlightRadius();
+		for (int i = 0; i < newRing.getAtomCount(); i++)
+		{
+			IAtom atom=newRing.getAtomAt(i);
+			centerAtom(atom,chemModel);
+			//We make sure atoms don't overlap
+			//Solution is a bit crude, we would need to find an unoccupied place (and even the bond display should be optimized)
+			IAtom inrange=getAtomInRange((int)atom.getPoint2d().x, (int)atom.getPoint2d().y, atom);
+			if(inrange!=null && Math.sqrt(Math.pow(inrange.getX2d() - atom.getPoint2d().x, 2) + Math.pow(inrange.getY2d() - atom.getPoint2d().y, 2)) < highlightRadius/4){
+				atom.getPoint2d().x-=highlightRadius/4;
+				atom.getPoint2d().y-=highlightRadius/4;
+			}
+		}
+		this.updateAtoms(ChemModelManipulator.getRelevantAtomContainer(chemModel, newRing.getAtomAt(0)), newRing.getAtoms());
+		undoRedoContainer.add(newRing);
+		UndoableEdit  edit = new AddAtomsAndBondsEdit(chemModel, undoRedoContainer, "Added Ring");
+		c2dm.getUndoSupport().postEdit(edit);
+		r2dm.fireChange();
+		fireChange();
+	}
+
+	private void eraseSelection() {
+		IAtomContainer undoRedoContainer = new org.openscience.cdk.AtomContainer();
+		String type = null;
+		IAtom highlightedAtom = r2dm.getHighlightedAtom();
+		IBond highlightedBond = r2dm.getHighlightedBond();
+		if (highlightedAtom != null && (r2dm.getSelectedPart()==null || !r2dm.getSelectedPart().contains(highlightedAtom)))
+		{
+			logger.info("User asks to delete an Atom");
+			IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
+			logger.debug("Atoms before delete: ", container.getAtomCount());
+			ChemModelManipulator.removeAtomAndConnectedElectronContainers(chemModel, highlightedAtom);
+			undoRedoContainer.addAtom(highlightedAtom);
+			if (type == null) {
+				type = "Remove Atom";
+			}
+			else {
+				type = "Remove Substructure";
+			}
+			container = ChemModelManipulator.getAllInOneContainer(chemModel);
+			logger.debug("Atoms before delete: ", container.getAtomCount());
+			// update atoms
+			IAtom[] atoms = container.getConnectedAtoms(highlightedAtom);
+			if (atoms.length > 0)
+			{
+				IAtomContainer atomCon = ChemModelManipulator.getRelevantAtomContainer(chemModel, atoms[0]);
+				updateAtoms(atomCon, atoms);
+			}
+		} else if (highlightedBond != null && (r2dm.getSelectedPart()==null || !r2dm.getSelectedPart().contains(highlightedBond)))
+		{
+			logger.info("User asks to delete a Bond");
+			ChemModelManipulator.removeElectronContainer(chemModel, highlightedBond);
+			undoRedoContainer.addBond(highlightedBond);
+			if (type == null) {
+				type = "Remove Bond";
+			}
+			else {
+				type = "Remove Substructure";
+			}
+			// update atoms
+			IAtom[] atoms = highlightedBond.getAtoms();
+			IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atoms[0]);
+			updateAtoms(container, atoms);
+		} else if(r2dm.getSelectedPart()!=null && (r2dm.getSelectedPart().getAtomCount()>0 || r2dm.getSelectedPart().getBondCount()>0)){
+			logger.info("User asks to delete selected part");
+			for(int i=0;i<r2dm.getSelectedPart().getAtomCount();i++){
+				ChemModelManipulator.removeAtomAndConnectedElectronContainers(chemModel,r2dm.getSelectedPart().getAtomAt(i));
+				undoRedoContainer.addAtom(r2dm.getSelectedPart().getAtomAt(i));
+			}
+			for(int i=0;i<r2dm.getSelectedPart().getBondCount();i++){
+				ChemModelManipulator.removeElectronContainer(chemModel,r2dm.getSelectedPart().getBondAt(i));
+				undoRedoContainer.addBond(r2dm.getSelectedPart().getBondAt(i));
+			}
+			type = "Remove Substructure";
+			// update atoms
+			IAtomContainer container = ChemModelManipulator.getAllInOneContainer(chemModel);
+			IAtom[] atoms = r2dm.getSelectedPart().getAtoms();
+			updateAtoms(container, atoms);
+			
+		}else
+		{
+			logger.warn("Cannot deleted if nothing is highlighted");
+			return;
+		}
+		/*
+		 *  PRESERVE THIS. This notifies the
+		 *  the listener responsible for
+		 *  undo and redo storage that it
+		 *  should store this change of an atom symbol
+		 */
+		isUndoableChange = true;
+		/*
+		 *  ---
+		 */
+		UndoableEdit  edit = new RemoveAtomsAndBondsEdit(chemModel, undoRedoContainer, type);
+		c2dm.getUndoSupport().postEdit(edit);
+		r2dm.fireChange();
+		fireChange();
+	}
 
-						// place the new atoms of the new ring to the right position
-						ringPlacer.placeFusedRing(newRing, sharedAtoms, sharedAtomsCenter, ringCenterVector, bondLength);
+	private void drawBond(int mouseX, int mouseY) {
+		logger.debug("mouseReleased->drawbond");
+		IAtom atomInRange;
+		IAtom newAtom1 = null;
+		IAtom newAtom2 = null;
+		IBond newBond = null;
+		int startX = r2dm.getPointerVectorStart().x;
+		int startY = r2dm.getPointerVectorStart().y;
+		IBond bondInRange = r2dm.getHighlightedBond();
+		
 
-						// removes the highlighed bond and its atoms from the ring to add only
-						// the new placed atoms to the AtomContainer.
-						try
-						{
-							newRing.remove(sharedAtoms);
-						} catch (Exception exc)
-						{
-							logger.error("Could not remove atom from ring");
-							logger.debug(exc);
-						}
-						atomCon.add(newRing);
-					}
-				}
-				double highlightRadius = r2dm.getHighlightRadius();
-				for (int i = 0; i < newRing.getAtomCount(); i++)
+		
+		//atomInRange = r2dm.getHighlightedAtom();
+		//Bond bondInRange = getBondInRange(mouseX, mouseY);
+		/*
+		 *  IMPORTANT: I don't use getHighlighteAtom()
+		 *  here because of the special case of
+		 *  only one atom on the screen.
+		 *  In this case, this atom will not detected
+		 *  if the mouse hasn't moved after it's creation
+		 */
+		atomInRange = getAtomInRange(mouseX, mouseY);
+		if (bondInRange != null)
+		{
+//			update atoms
+			IAtom[] atoms = bondInRange.getAtoms();
+			IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atoms[0]);
+			updateAtoms(container, atoms);
+			HashMap changedBonds = new HashMap();
+			IBond formerBond = (IBond) bondInRange.clone();
+			if (c2dm.getDrawMode() == Controller2DModel.DRAWBOND){
+				// increase Bond order
+				double order = bondInRange.getOrder();
+				if (order >= CDKConstants.BONDORDER_TRIPLE)
 				{
-					IAtom atom=newRing.getAtomAt(i);
-					centerAtom(atom,chemModel);
-					//We make sure atoms don't overlap
-					//Solution is a bit crude, we would need to find an unoccupied place (and even the bond display should be optimized)
-					IAtom inrange=getAtomInRange((int)atom.getPoint2d().x, (int)atom.getPoint2d().y, atom);
-					if(inrange!=null && Math.sqrt(Math.pow(inrange.getX2d() - atom.getPoint2d().x, 2) + Math.pow(inrange.getY2d() - atom.getPoint2d().y, 2)) < highlightRadius/4){
-						atom.getPoint2d().x-=highlightRadius/4;
-						atom.getPoint2d().y-=highlightRadius/4;
-					}
+					bondInRange.setOrder(CDKConstants.BONDORDER_SINGLE);
+				} else {
+					bondInRange.setOrder(order + 1.0);
+					// this is tricky as it depends on the fact that the
+					// constants are unidistant, i.e. {1.0, 2.0, 3.0}.
 				}
-				undoRedoContainer.add(newRing);
-				UndoableEdit  edit = new AddAtomsAndBondsEdit(chemModel, undoRedoContainer, "Added Benzene");
-				c2dm.getUndoSupport().postEdit(edit);
-				r2dm.fireChange();
-				fireChange();
+				;
+				
+				
+			}else if(c2dm.getDrawMode() == Controller2DModel.DOWN_BOND){
+	            // toggle bond stereo
+	            double stereo = bondInRange.getStereo();
+	            if (stereo == CDKConstants.STEREO_BOND_DOWN)
+	            {
+	              bondInRange.setStereo(CDKConstants.STEREO_BOND_DOWN_INV);
+	            } else if (stereo == CDKConstants.STEREO_BOND_DOWN_INV)
+	            {
+	              bondInRange.setStereo(CDKConstants.STEREO_BOND_NONE);
+	            } else
+	            {
+	              bondInRange.setStereo(CDKConstants.STEREO_BOND_DOWN);
+	            }
+			}else{
+	            // toggle bond stereo
+	            double stereo = bondInRange.getStereo();
+	            if (stereo == CDKConstants.STEREO_BOND_UP)
+	            {
+	              bondInRange.setStereo(CDKConstants.STEREO_BOND_UP_INV);
+	            } else if (stereo == CDKConstants.STEREO_BOND_UP_INV)
+	            {
+	              bondInRange.setStereo(CDKConstants.STEREO_BOND_NONE);
+	            } else
+	            {
+	              bondInRange.setStereo(CDKConstants.STEREO_BOND_UP);
+	            }
+			}           
+			/*
+			 *  PRESERVE THIS. This notifies the
+			 *  the listener responsible for
+			 *  undo and redo storage that it
+			 *  should store this change of an atom symbol
+			 */
+			if (bondInRange.getOrder() != formerBond.getOrder()) {
+                double[] bondOrders = new double[2];
+                bondOrders[0] = bondInRange.getOrder();
+                bondOrders[1] = formerBond.getOrder();
+                changedBonds.put(bondInRange, bondOrders);
+            }
+			isUndoableChange = true;
+			/*
+			 *  ---
+			 */
+			UndoableEdit  edit = new AdjustBondOrdersEdit(changedBonds);
+			c2dm.getUndoSupport().postEdit(edit);
+		} else
+		{
+			IAtomContainer undoRedoContainer = new org.openscience.cdk.AtomContainer();
+			if (atomInRange != null)
+			{
+				logger.debug("We had an atom in range");
+				newAtom1 = atomInRange;
+			} else if (!wasDragged)
+			{
+				// create a new molecule
+				logger.debug("We make a new molecule");
+				newAtom1 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(startX, startY));
+				IAtomContainer atomCon = ChemModelManipulator.createNewMolecule(chemModel);
+				atomCon.addAtom(newAtom1);
+				// update atoms
+				updateAtom(atomCon, newAtom1);
+				undoRedoContainer.add(atomCon);
 			}
 
-			if (c2dm.getDrawMode() == Controller2DModel.LASSO)
+			if (wasDragged)
 			{
-				// first deselect all atoms
-				r2dm.setSelectedPart(new org.openscience.cdk.AtomContainer());
-				// now select new atoms
-				if (wasDragged)
+				if (dragMode == DRAG_DRAWING_PROPOSED_BOND)
 				{
-					Vector lassoPoints = r2dm.getLassoPoints();
-					r2dm.addLassoPoint(new Point((Point) lassoPoints.elementAt(0)));
-					int number = lassoPoints.size();
-					logger.debug("# lasso points: ", number);
-					int[] screenLassoCoords = new int[number * 2];
-					Point currentPoint;
-					for (int i = 0; i < number; i++)
+					int endX = r2dm.getPointerVectorEnd().x;
+					int endY = r2dm.getPointerVectorEnd().y;
+					atomInRange = getAtomInRange(endX, endY);
+					IAtomContainer atomCon = ChemModelManipulator.getAllInOneContainer(chemModel);
+					if (atomInRange != null)
 					{
-						currentPoint = (Point) lassoPoints.elementAt(i);
-						screenLassoCoords[i * 2] = currentPoint.x;
-						screenLassoCoords[i * 2 + 1] = currentPoint.y;
-						logger.debug("ScreenLasso.x = ", screenLassoCoords[i * 2]);
-						logger.debug("ScreenLasso.y = ", screenLassoCoords[i * 2 + 1]);
+						logger.debug("*** atom in range");
+
+						newAtom2 = atomInRange;
+						logger.debug("atomCon.getAtomCount() " + atomCon.getAtomCount());
+					} else
+					{
+						logger.debug("*** new atom");
+						newAtom2 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(endX, endY));
+						atomCon.addAtom(newAtom2);
+						undoRedoContainer.addAtom(newAtom2);
 					}
-					/*
-					 *  Convert points to world coordinates as they are
-					 *  in screen coordinates in the vector
-					 */
-					int[] worldCoords = getWorldCoordinates(screenLassoCoords);
-					logger.debug("Returned coords: ", worldCoords.length);
-					logger.debug("       # points: ", number);
-					int[] xPoints = new int[number];
-					int[] yPoints = new int[number];
-					for (int i = 0; i < number; i++)
+					newAtom1 = lastAtomInRange;
+					if (newAtom1 == null)
 					{
-						xPoints[i] = worldCoords[i * 2];
-						yPoints[i] = worldCoords[i * 2 + 1];
-						logger.debug("WorldCoords.x  = ", worldCoords[i * 2]);
-						logger.debug("WorldCoords.y  = ", worldCoords[i * 2 + 1]);
-						logger.debug("Polygon.x = ", xPoints[i]);
-						logger.debug("Polygon.y = ", yPoints[i]);
+						newAtom1 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(r2dm.getPointerVectorStart().x, r2dm.getPointerVectorStart().y));
+						undoRedoContainer.addAtom(newAtom1);
 					}
-					Polygon polygon = new Polygon(xPoints, yPoints, number);
-					r2dm.setSelectedPart(getContainedAtoms(polygon));
-					r2dm.getLassoPoints().removeAllElements();
-					r2dm.fireChange();
-				} else
-				{
-					// one atom clicked or one bond clicked
-					IChemObject chemObj = getChemObjectInRange(mouseX, mouseY);
-					IAtomContainer container = new org.openscience.cdk.AtomContainer();
-					if (chemObj instanceof IAtom)
+					if (newAtom1 != newAtom2)
 					{
-						container.addAtom((IAtom) chemObj);
-						logger.debug("selected one atom in lasso mode");
-						r2dm.setSelectedPart(container);
-					} else if (chemObj instanceof org.openscience.cdk.interfaces.IBond)
+						newBond = new org.openscience.cdk.Bond(newAtom1, newAtom2, 1);
+						if(c2dm.getDrawMode() == Controller2DModel.UP_BOND)
+							newBond.setStereo(CDKConstants.STEREO_BOND_UP);
+						if(c2dm.getDrawMode() == Controller2DModel.DOWN_BOND)
+							newBond.setStereo(CDKConstants.STEREO_BOND_DOWN);
+						logger.debug(newAtom1 + " - " + newAtom2);
+						atomCon.addBond(newBond);
+						undoRedoContainer.addBond(newBond);
+					}
+
+					try
 					{
-						IBond bond = (IBond) chemObj;
-						container.addBond(bond);
-						logger.debug("selected one bond in lasso mode");
-						org.openscience.cdk.interfaces.IAtom[] atoms = bond.getAtoms();
-						for (int i = 0; i < atoms.length; i++)
-						{
-							container.addAtom(atoms[i]);
-						}
-						r2dm.setSelectedPart(container);
+						ISetOfMolecules setOfMolecules = ConnectivityChecker.partitionIntoMolecules(atomCon);
+						chemModel.setSetOfMolecules(setOfMolecules);
+						logger.debug("We have " + setOfMolecules.getAtomContainerCount() + " molecules on screen");
+					} catch (Exception exception)
+					{
+						logger.warn("Could not partition molecule: ", exception.getMessage());
+						logger.debug(exception);
+						return;
 					}
-				}
-				fireChange();
-			}
 
-			if (c2dm.getDrawMode() == Controller2DModel.MOVE)
+					// update atoms
+					updateAtom(atomCon, newAtom2);
+
+					/*
+					 *  PRESERVE THIS. This notifies the
+					 *  the listener responsible for
+					 *  undo and redo storage that it
+					 *  should store this change of an atom symbol
+					 */
+					isUndoableChange = true;
+					/*
+					 *  ---
+					 */
+				}
+			} else if (atomInRange != null)
 			{
-				if (draggingSelected == false)
+				// add a new atom to the current atom in some random
+				// direction
+				IAtomContainer atomCon = ChemModelManipulator.getRelevantAtomContainer(chemModel, atomInRange);
+				newAtom2 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), atomInRange.getPoint2d());
+
+				// now create 2D coords for new atom
+				double bondLength = r2dm.getBondLength();
+				IAtom[] connectedAtoms = atomCon.getConnectedAtoms(atomInRange);
+				logger.debug("connectedAtoms.length: " + connectedAtoms.length);
+				IAtomContainer placedAtoms = new org.openscience.cdk.AtomContainer();
+				//placedAtoms.addAtom(atomInRange);
+				for (int i = 0; i < connectedAtoms.length; i++)
 				{
-					// then it was dragging nearest Bond or Atom
-					r2dm.setSelectedPart(new org.openscience.cdk.AtomContainer());
+					placedAtoms.addAtom(connectedAtoms[i]);
 				}
-				if(r2dm.getMerge().size()>0){
-					Iterator it=r2dm.getMerge().keySet().iterator();
-					while(it.hasNext()){
-						IAtom atom1=(IAtom)it.next();
-						IAtom atom2=(IAtom)r2dm.getMerge().get(atom1);
-						int contains1=-1;
-						int contains2=-1;
-						ISetOfMolecules som=chemModel.getSetOfMolecules();
-						for(int i=0;i<som.getAtomContainerCount();i++){
-							if(chemModel.getSetOfMolecules().getAtomContainer(i).contains(atom1))
-								contains1=i;
-							if(chemModel.getSetOfMolecules().getAtomContainer(i).contains(atom2))
-								contains2=i;
-							if(contains1>-1 && contains2>-1)
-								break;
-						}
-						if(contains1>contains2){
-							int prov=contains1;
-							contains1=contains2;
-							contains2=prov;
-						}
-						if(contains1!=contains2){
-							som.getAtomContainer(contains1).add(som.getAtomContainer(contains2));
-							som.removeAtomContainer(contains2);
-						}
-						IBond[] bondson2=som.getAtomContainer(contains1).getConnectedBonds(atom2);
-						for(int i=0;i<bondson2.length;i++){
-							if(bondson2[i].getAtomAt(0)==atom2)
-								bondson2[i].setAtomAt(atom1,0);
-							if(bondson2[i].getAtomAt(1)==atom2)
-								bondson2[i].setAtomAt(atom1,1);
-							if(bondson2[i].getAtomAt(0)==bondson2[i].getAtomAt(1)){
-								som.getAtomContainer(contains1).removeElectronContainer(bondson2[i]);
-							}
-						}
-						som.getAtomContainer(contains1).removeAtom(atom2);
-					}
-					r2dm.getMerge().clear();
+				IAtomContainer unplacedAtoms = new org.openscience.cdk.AtomContainer();
+				unplacedAtoms.addAtom(newAtom2);
+				AtomPlacer atomPlacer = new AtomPlacer();
+				atomPlacer.setMolecule(new org.openscience.cdk.Molecule(atomCon));
+				Point2d center2D = GeometryTools.get2DCenter(placedAtoms);
+				logger.debug("placedAtoms.getAtomCount(): " + placedAtoms.getAtomCount());
+				logger.debug("unplacedAtoms.getAtomCount(): " + unplacedAtoms.getAtomCount());
+				if (placedAtoms.getAtomCount() == 1)
+				{
+					Vector2d bondVector = atomPlacer.getNextBondVector(
+							atomInRange, placedAtoms.getAtomAt(0), 
+							GeometryTools.get2DCenter(new org.openscience.cdk.Molecule(atomCon)),
+							true // FIXME: is this correct? (see SF bug #1367002)
+					);
+					Point2d atomPoint = new Point2d(atomInRange.getPoint2d());
+					bondVector.normalize();
+					bondVector.scale(bondLength);
+					atomPoint.add(bondVector);
+					newAtom2.setPoint2d(atomPoint);
+
+				} else
+				{
+					atomPlacer.distributePartners(atomInRange, placedAtoms, center2D,
+							unplacedAtoms, bondLength);
 				}
+
+				// now add the new atom
+				atomCon.addAtom(newAtom2);
+				undoRedoContainer.addAtom(newAtom2);
+				newBond=new org.openscience.cdk.Bond(atomInRange, newAtom2, 1.0);
+				atomCon.addBond(newBond);
+				undoRedoContainer.addBond(newBond);
+				if(c2dm.getDrawMode() == Controller2DModel.UP_BOND)
+					newBond.setStereo(CDKConstants.STEREO_BOND_UP);
+				if(c2dm.getDrawMode() == Controller2DModel.DOWN_BOND)
+					newBond.setStereo(CDKConstants.STEREO_BOND_DOWN);
+				// update atoms
+				updateAtom(atomCon, atomInRange);
+				updateAtom(atomCon, newAtom2);
 			}
+			UndoableEdit  edit = new AddAtomsAndBondsEdit(chemModel, undoRedoContainer, "Add Bond");
+			c2dm.getUndoSupport().postEdit(edit);
+		}
+		r2dm.fireChange();
+		fireChange();
+		centerAtom(newAtom1,chemModel);
+		centerAtom(newAtom2,chemModel);
+	}
 
-			if (wasDragged)
-			{
-				prevDragCoordX = 0;
-				prevDragCoordY = 0;
-				wasDragged = false;
+	private void decreaseCharge() {
+		IAtom atomInRange = r2dm.getHighlightedAtom();
+		if (atomInRange != null)
+		{
+			int formerCharge = atomInRange.getFormalCharge();
+			atomInRange.setFormalCharge(atomInRange.getFormalCharge() - 1);
+			// update atom
+			IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atomInRange);
+			updateAtom(container, atomInRange);
+			//undoredo support
+            UndoableEdit  edit = new ChangeChargeEdit(atomInRange, formerCharge, atomInRange.getFormalCharge());
+			c2dm.getUndoSupport().postEdit(edit);
+			r2dm.fireChange();
+			fireChange();
+		}
+	}
+
+	private void enterElement() {
+		IAtom atomInRange = r2dm.getHighlightedAtom();
+		if (atomInRange != null)
+		{
+			String x=JOptionPane.showInputDialog(null,"Enter new element symbol");
+			try{
+				if(Character.isLowerCase(x.toCharArray()[0]))
+					x=Character.toUpperCase(x.charAt(0))+x.substring(1);
+				IsotopeFactory ifa=IsotopeFactory.getInstance(r2dm.getHighlightedAtom().getBuilder());
+				IIsotope iso=ifa.getMajorIsotope(x);
+				String formerSymbol=r2dm.getHighlightedAtom().getSymbol();
+				if(iso!=null)
+					r2dm.getHighlightedAtom().setSymbol(x);
+				// update atom
+				IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atomInRange);
+				updateAtom(container, atomInRange);
+				
+				/*
+				 *  PRESERVE THIS. This notifies the
+				 *  the listener responsible for
+				 *  undo and redo storage that it
+				 *  should store this change of an atom symbol
+				 */
+				isUndoableChange = true;
+				/*
+				 *  ---
+				 */
+				// undoredo support
+				UndoableEdit  edit = new ChangeAtomSymbolEdit(atomInRange, formerSymbol, x);
+				c2dm.getUndoSupport().postEdit(edit);
+				r2dm.fireChange();
+				fireChange();
+			}catch(Exception ex){
+				logger.debug(ex.getMessage()+" in SELECTELEMENT");
 			}
-			dragMode = DRAG_UNSET;
-			r2dm.setPointerVectorStart(null);
-			r2dm.setPointerVectorEnd(null);
 		}
-		if (shiftX != 0 || shiftY != 0)
+	}
+
+	private void increaseCharge() {
+		IAtom atomInRange = r2dm.getHighlightedAtom();
+		if (atomInRange != null)
+		{
+			int formerCharge = atomInRange.getFormalCharge();
+			atomInRange.setFormalCharge(atomInRange.getFormalCharge() + 1);
+
+			// update atom
+			IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atomInRange);
+			updateAtom(container, atomInRange);
+			//undoredo support
+            UndoableEdit  edit = new ChangeChargeEdit(atomInRange, formerCharge, atomInRange.getFormalCharge());
+			c2dm.getUndoSupport().postEdit(edit);
+			r2dm.fireChange();
+			fireChange();
+		}
+	}
+
+	private void changeElement() {
+		IAtom atomInRange = r2dm.getHighlightedAtom();
+		if (atomInRange != null)
 		{
-			for (int i = 0; i < chemModel.getSetOfMolecules().getMoleculeCount(); i++)
+			String symbol = c2dm.getDrawElement();
+			if (!(atomInRange.getSymbol().equals(symbol)))
 			{
-				IMolecule mol = chemModel.getSetOfMolecules().getMolecules()[i];
-				for (int k = 0; k < mol.getAtomCount(); k++)
+				// only change symbol if needed
+				String formerSymbol = atomInRange.getSymbol();
+				atomInRange.setSymbol(symbol);
+				// configure the atom, so that the atomic number matches the symbol
+				try
+				{
+					IsotopeFactory.getInstance(atomInRange.getBuilder()).configure(atomInRange);
+				} catch (Exception exception)
 				{
-					mol.getAtomAt(k).setX2d(mol.getAtomAt(k).getX2d() - shiftX);
-					mol.getAtomAt(k).setY2d(mol.getAtomAt(k).getY2d() - shiftY);
+					logger.error("Error while configuring atom");
+					logger.debug(exception);
 				}
+				// update atom
+				IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atomInRange);
+				updateAtom(container, atomInRange);
+				
+				/*
+				 *  PRESERVE THIS. This notifies the
+				 *  the listener responsible for
+				 *  undo and redo storage that it
+				 *  should store this change of an atom symbol
+				 */
+//				isUndoableChange = true;
+				/*
+				 *  ---
+				 */
+				// undoredo support
+				UndoableEdit  edit = new ChangeAtomSymbolEdit(atomInRange, formerSymbol, symbol);
+				c2dm.getUndoSupport().postEdit(edit);
+				r2dm.fireChange();
+				fireChange();
 			}
+		}else{
+			int startX = r2dm.getPointerVectorStart().x;
+			int startY = r2dm.getPointerVectorStart().y;
+			IAtom newAtom1 = new org.openscience.cdk.Atom(c2dm.getDrawElement(), new Point2d(startX, startY));
+			IAtomContainer atomCon = ChemModelManipulator.createNewMolecule(chemModel);
+			atomCon.addAtom(newAtom1);
+			// update atoms
+			updateAtom(atomCon, newAtom1);
+			chemModel.getSetOfMolecules().addAtomContainer(atomCon);
+			//FIXME undoredo
+			IAtomContainer undoRedoContainer=new org.openscience.cdk.AtomContainer();
+			undoRedoContainer.addAtom(newAtom1);
+			UndoableEdit  edit = new AddAtomsAndBondsEdit(chemModel, undoRedoContainer, "Add Atom");
+			c2dm.getUndoSupport().postEdit(edit);
 			r2dm.fireChange();
 			fireChange();
 		}
-		shiftX = 0;
-		shiftY = 0;
 	}
 
+	private void changeSymbol() {
+		IAtom atomInRange = r2dm.getHighlightedAtom();
+		if (atomInRange != null)
+		{
+			if (currentCommonElement.get(atomInRange) == null)
+			{
+				currentCommonElement.put(atomInRange, new Integer(1));
+			}
+			int oldCommonElement = ((Integer) currentCommonElement.get(atomInRange)).intValue();
+			String symbol = (String) commonElements.elementAt(oldCommonElement);
+			if (!(atomInRange.getSymbol().equals(symbol)))
+			{
+				// only change symbol if needed
+                String formerSymbol = atomInRange.getSymbol();
+				atomInRange.setSymbol(symbol);
+				// configure the atom, so that the atomic number matches the symbol
+				try
+				{
+					IsotopeFactory.getInstance(atomInRange.getBuilder()).configure(atomInRange);
+				} catch (Exception exception)
+				{
+					logger.error("Error while configuring atom");
+					logger.debug(exception);
+				}
+				// update atom
+				IAtomContainer container = ChemModelManipulator.getRelevantAtomContainer(chemModel, atomInRange);
+				updateAtom(container, atomInRange);
+
+				/*
+				 *  PRESERVE THIS. This notifies the
+				 *  the listener responsible for
+				 *  undo and redo storage that it
+				 *  should store this change of an atom symbol
+				 */
+				isUndoableChange = true;
+				/*
+				 *  ---
+				 */
+                UndoableEdit  edit = new ChangeAtomSymbolEdit(atomInRange, formerSymbol, symbol);
+                c2dm.getUndoSupport().postEdit(edit);
+				r2dm.fireChange();
+				fireChange();
+			}
+			oldCommonElement++;
+			if (oldCommonElement == commonElements.size())
+			{
+				oldCommonElement = 0;
+			}
+			currentCommonElement.put(atomInRange, new Integer(oldCommonElement));
+		}
+	}
 
 	/**
 	 *  Makes a ring aromatic
@@ -1405,19 +1568,6 @@ private double snapAngle(double angle)
 	}
 
 
-	/**
-	 *  No idea what this does
-	 *
-	 *@param  position  Some kind of position
-	 *@return           Don't know what
-	 */
-	private int snapCartesian(int position)
-	{
-		int div = c2dm.getSnapCartesian();
-		return (int) (Math.rint(position / div)) * div;
-	}
-
-
 	/**
 	 *  Gets the chemObjectInRange attribute of the Controller2D object
 	 *
@@ -1485,10 +1635,7 @@ private IAtom getAtomInRange(int X, int Y)
 	private IAtom getAtomInRange(int X, int Y, IAtom ignore)
 	{
 		double highlightRadius = r2dm.getHighlightRadius();
-		IAtomContainer atomCon = getAllInOneContainer(chemModel);
-		if(ignore!=null)
-			atomCon.removeAtomAndConnectedElectronContainers(ignore);
-		IAtom closestAtom = GeometryTools.getClosestAtom(X, Y, atomCon);
+		IAtom closestAtom = GeometryTools.getClosestAtom(X, Y, chemModel, ignore);
 		if (closestAtom != null)
 		{
 			//logger.debug("getAtomInRange(): An atom is near");
@@ -1501,7 +1648,7 @@ private IAtom getAtomInRange(int X, int Y, IAtom ignore)
 				// set the associated AtomContainer, for use by JCP's Molecule Properties action
 				closestAtom.setProperty(
 					SimpleController2D.MATCHING_ATOMCONTAINER,
-					getRelevantAtomContainer(chemModel, closestAtom)
+					ChemModelManipulator.getRelevantAtomContainer(chemModel, closestAtom)
 				);
 			}
 		}
@@ -1523,7 +1670,7 @@ private IAtom getAtomInRange(int X, int Y, IAtom ignore)
 	private IBond getBondInRange(int X, int Y)
 	{
         double highlightRadius = r2dm.getHighlightRadius();
-		IAtomContainer atomCon = getAllInOneContainer(chemModel);
+		IAtomContainer atomCon = ChemModelManipulator.getAllInOneContainer(chemModel);
         if (atomCon.getBondCount() != 0) {
             IBond closestBond = GeometryTools.getClosestBond(X, Y, atomCon);
     		if (closestBond == null)
@@ -1621,7 +1768,7 @@ Point2d getConnectedAtomsCenter(IAtomContainer sharedAtoms)
 		IAtom currentAtom;
 		IAtom[] conAtomsArray;
 		IAtomContainer conAtoms = new org.openscience.cdk.AtomContainer();
-		IAtomContainer atomCon = getAllInOneContainer(chemModel);
+		IAtomContainer atomCon = ChemModelManipulator.getAllInOneContainer(chemModel);
 		for (int i = 0; i < sharedAtoms.getAtomCount(); i++)
 		{
 			currentAtom = sharedAtoms.getAtomAt(i);
@@ -1648,7 +1795,7 @@ IAtomContainer getContainedAtoms(Polygon polygon)
 		IAtom currentAtom;
 		IBond currentBond;
 		IAtomContainer selectedPart = new org.openscience.cdk.AtomContainer();
-		IAtomContainer atomCon = getAllInOneContainer(chemModel);
+		IAtomContainer atomCon = ChemModelManipulator.getAllInOneContainer(chemModel);
 		for (int i = 0; i < atomCon.getAtomCount(); i++)
 		{
 			currentAtom = atomCon.getAtomAt(i);
@@ -1857,10 +2004,11 @@ void moveSelectedAtomsWith(int deltaX, int deltaY)
 			IAtom[] atoms = container.getAtoms();
 			for (int i = 0; i < atoms.length; i++)
 			{
-				IAtom atom = atoms[i];
-				atom.setX2d(atom.getX2d() + deltaX);
-				atom.setY2d(atom.getY2d() + deltaY);
+				org.openscience.cdk.Atom atom = (org.openscience.cdk.Atom)atoms[i];
+				atom.setX2d(atom.getX2d() + deltaX,false);
+				atom.setY2d(atom.getY2d() + deltaY,false);
 			}
+			r2dm.getSelectedPart().notifyChanged();
 		}
 	}
 
@@ -1960,15 +2108,6 @@ void centerAtom(IAtom atom, IChemModel chemModel)
 		}
 	}
 	
-	IAtomContainer getRelevantAtomContainer(IChemModel chemModel, org.openscience.cdk.interfaces.IAtom atom)
-	{
-		return atomContainer;
-	}
-	
-	IAtomContainer getAllInOneContainer(IChemModel chemModel)
-	{
-		return atomContainer;
-	}
 
 	void handleMapping(boolean wasDragged, Renderer2DModel r2dm)
 	{
@@ -2016,13 +2155,6 @@ void handleMapping(boolean wasDragged, Renderer2DModel r2dm)
 	
 	abstract IReaction getRelevantReaction(IChemModel model, IAtom atom);
 
-	public IAtomContainer getAtomContainer() {
-		return atomContainer;
-	}
-
-	public void setAtomContainer(IAtomContainer atomContainer) {
-		this.atomContainer = atomContainer;
-	}
 
 	public IChemModel getChemModel() {
 		return chemModel;
diff --git a/src/org/openscience/cdk/controller/Controller2DModel.java b/src/org/openscience/cdk/controller/Controller2DModel.java
index c53a943caad..e3c23f92256 100644
--- a/src/org/openscience/cdk/controller/Controller2DModel.java
+++ b/src/org/openscience/cdk/controller/Controller2DModel.java
@@ -73,7 +73,7 @@ public class Controller2DModel implements java.io.Serializable, Cloneable
 	private double bondPointerLength = 20;
 	private double ringPointerLength = 20;
 
-    private boolean autoUpdateImplicitHydrogens = true;
+    private boolean autoUpdateImplicitHydrogens = false;
 	private UndoManager undoManager;
 	private UndoableEditSupport undoSupport;
     
diff --git a/src/org/openscience/cdk/geometry/BondTools.java b/src/org/openscience/cdk/geometry/BondTools.java
index fad0abee889..c7a950b1c52 100644
--- a/src/org/openscience/cdk/geometry/BondTools.java
+++ b/src/org/openscience/cdk/geometry/BondTools.java
@@ -33,6 +33,8 @@
 import java.util.TreeMap;
 import java.util.Vector;
 
+import javax.vecmath.Point2d;
+
 import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.exception.CDKException;
 import org.openscience.cdk.graph.invariant.MorganNumbersTools;
@@ -156,30 +158,34 @@ public static boolean closeEnoughToBond(IAtom atom1, IAtom atom2, double distanc
    * @param  bool  true=angle is 0 to 2PI, false=angel is -PI to PI.
    * @return       The angle in rad.
    */
-  public static double giveAngleBothMethods(org.openscience.cdk.interfaces.IAtom from, org.openscience.cdk.interfaces.IAtom to1, org.openscience.cdk.interfaces.IAtom to2, boolean bool) {
-    double[] A = new double[2];
-    from.getPoint2d().get(A);
-    double[] B = new double[2];
-    to1.getPoint2d().get(B);
-    double[] C = new double[2];
-    to2.getPoint2d().get(C);
-    double angle1 = Math.atan2((B[1] - A[1]), (B[0] - A[0]));
-    double angle2 = Math.atan2((C[1] - A[1]), (C[0] - A[0]));
-    double angle = angle2 - angle1;
-    if (angle2 < 0 && angle1 > 0 && angle2 < -(Math.PI / 2)) {
-      angle = Math.PI + angle2 + Math.PI - angle1;
-    }
-    if (angle2 > 0 && angle1 < 0 && angle1 < -(Math.PI / 2)) {
-      angle = -Math.PI + angle2 - Math.PI - angle1;
-    }
-    if (bool && angle < 0) {
-      return (2 * Math.PI + angle);
-    } else {
-      return (angle);
-    }
+  public static double giveAngleBothMethods(IAtom from, IAtom to1, IAtom to2, boolean bool) {
+	  return giveAngleBothMethods(from.getPoint2d(), to1.getPoint2d(), to2.getPoint2d(),bool);
   }
 
 
+  public static double giveAngleBothMethods(Point2d from, Point2d to1, Point2d to2, boolean bool) {
+	    double[] A = new double[2];
+	    from.get(A);
+	    double[] B = new double[2];
+	    to1.get(B);
+	    double[] C = new double[2];
+	    to2.get(C);
+	    double angle1 = Math.atan2((B[1] - A[1]), (B[0] - A[0]));
+	    double angle2 = Math.atan2((C[1] - A[1]), (C[0] - A[0]));
+	    double angle = angle2 - angle1;
+	    if (angle2 < 0 && angle1 > 0 && angle2 < -(Math.PI / 2)) {
+	      angle = Math.PI + angle2 + Math.PI - angle1;
+	    }
+	    if (angle2 > 0 && angle1 < 0 && angle1 < -(Math.PI / 2)) {
+	      angle = -Math.PI + angle2 - Math.PI - angle1;
+	    }
+	    if (bool && angle < 0) {
+	      return (2 * Math.PI + angle);
+	    } else {
+	      return (angle);
+	    }
+  }
+	  
   /**
    *  Says if an atom is the end of a double bond configuration
    *
diff --git a/src/org/openscience/cdk/geometry/GeometryTools.java b/src/org/openscience/cdk/geometry/GeometryTools.java
index 94aec477ba4..24f02cf52d1 100644
--- a/src/org/openscience/cdk/geometry/GeometryTools.java
+++ b/src/org/openscience/cdk/geometry/GeometryTools.java
@@ -41,11 +41,12 @@
 import javax.vecmath.Point3d;
 import javax.vecmath.Vector2d;
 
+import org.openscience.cdk.exception.CDKException;
 import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.interfaces.IBond;
+import org.openscience.cdk.interfaces.IChemModel;
 import org.openscience.cdk.interfaces.IRingSet;
-import org.openscience.cdk.exception.CDKException;
 import org.openscience.cdk.tools.LoggingTool;
 
 /**
@@ -516,6 +517,43 @@ public static int[] getBondCoordinates(IBond bond) {
 	}
 
 
+	/**
+	 *  Returns the atom of the given molecule that is closest to the given
+	 *  coordinates.
+	 *
+	 *@param  xPosition  The x coordinate
+	 *@param  yPosition  The y coordinate
+	 *@param  atomCon    The molecule that is searched for the closest atom
+	 *@return            The atom that is closest to the given coordinates
+	 */
+	public static IAtom getClosestAtom(int xPosition, int yPosition, IChemModel model, IAtom ignore) {
+		IAtom closestAtom = null;
+		IAtom currentAtom;
+		double smallestMouseDistance = -1;
+		double mouseDistance;
+		double atomX;
+		double atomY;
+		if(model.getSetOfMolecules()!=null){
+			for(int k=0;k<model.getSetOfMolecules().getAtomContainerCount();k++){
+				IAtomContainer atomCon=model.getSetOfMolecules().getAtomContainer(k);
+				for (int i = 0; i < atomCon.getAtomCount(); i++) {
+					currentAtom = atomCon.getAtomAt(i);
+					if(currentAtom!=ignore){
+						atomX = currentAtom.getX2d();
+						atomY = currentAtom.getY2d();
+						mouseDistance = Math.sqrt(Math.pow(atomX - xPosition, 2) + Math.pow(atomY - yPosition, 2));
+						if (mouseDistance < smallestMouseDistance || smallestMouseDistance == -1) {
+							smallestMouseDistance = mouseDistance;
+							closestAtom = currentAtom;
+						}
+					}
+				}
+			}
+		}
+		return closestAtom;
+	}
+	
+	
 	/**
 	 *  Returns the atom of the given molecule that is closest to the given
 	 *  coordinates.
diff --git a/src/org/openscience/cdk/io/MDLWriter.java b/src/org/openscience/cdk/io/MDLWriter.java
index a777e531adc..aa15a77b73b 100644
--- a/src/org/openscience/cdk/io/MDLWriter.java
+++ b/src/org/openscience/cdk/io/MDLWriter.java
@@ -85,6 +85,7 @@
  * See {@cdk.cite DAL92}.
  *
  * @cdk.module io
+ * 
  *
  * @cdk.keyword file format, MDL molfile
  */
@@ -153,7 +154,7 @@ public void dontWriteAromatic(){
     
     /**
      * Here you can set a map which will be used to build sd fields in the file.
-     * The entries will be translated to sd fields like this:br>
+     * The entries will be translated to sd fields like this:<br>
      * &gt; &lt;key&gt;<br>
      * &gt; value<br>
      * empty line<br>
diff --git a/src/org/openscience/cdk/io/SVGWriter.java b/src/org/openscience/cdk/io/SVGWriter.java
index 8ebb7b01d31..0ba0a524289 100644
--- a/src/org/openscience/cdk/io/SVGWriter.java
+++ b/src/org/openscience/cdk/io/SVGWriter.java
@@ -165,7 +165,7 @@ public void writeAtomContainer(IAtomContainer molecule) {
         IAtomContainer container = (IAtomContainer)molecule.clone();
         GeometryTools.translateAllPositive(container);
         GeometryTools.center(container, new Dimension(600,400));
-        r2d.paintMolecule(container, (Graphics2D)svgGenerator,false);
+        r2d.paintMolecule(container, (Graphics2D)svgGenerator,false,true);
         
         // save to stream
         boolean useCSS = true;
diff --git a/src/org/openscience/cdk/io/cml/ChemFileCDO.java b/src/org/openscience/cdk/io/cml/ChemFileCDO.java
index 2c85ad93f9a..094db5efe24 100644
--- a/src/org/openscience/cdk/io/cml/ChemFileCDO.java
+++ b/src/org/openscience/cdk/io/cml/ChemFileCDO.java
@@ -237,7 +237,6 @@ public void endObject(String objectType) {
                 if (bond_id != null) b.setID(bond_id);
                 if (bond_stereo != -99) {
                     b.setStereo(bond_stereo);
-                    System.err.println(bond_stereo+" stereo");
                 }
                 if (bond_order == CDKConstants.BONDORDER_AROMATIC) {
                     b.setFlag(CDKConstants.ISAROMATIC, true);
diff --git a/src/org/openscience/cdk/isomorphism/UniversalIsomorphismTester.java b/src/org/openscience/cdk/isomorphism/UniversalIsomorphismTester.java
index bac69f0bf70..012b5aeff46 100644
--- a/src/org/openscience/cdk/isomorphism/UniversalIsomorphismTester.java
+++ b/src/org/openscience/cdk/isomorphism/UniversalIsomorphismTester.java
@@ -664,7 +664,7 @@ private static void nodeConstructor(RGraph gr, IAtomContainer ac1, IAtomContaine
               IBond bond = bondsA1[i];
               if (queryBond.matches(bond)) {
                   // ok, bonds match
-                  if (atom1.matches(bond.getAtomAt(0)) && atom2.matches(bond.getAtomAt(1)) ||
+            	    if (atom1.matches(bond.getAtomAt(0)) && atom2.matches(bond.getAtomAt(1)) ||
                       atom1.matches(bond.getAtomAt(1)) && atom2.matches(bond.getAtomAt(0))) {
                       // ok, atoms match in either order
                       gr.addNode(new RNode(i,j));
diff --git a/src/org/openscience/cdk/isomorphism/matchers/QueryAtomContainerCreator.java b/src/org/openscience/cdk/isomorphism/matchers/QueryAtomContainerCreator.java
index 8ebab71b716..78d0637929f 100644
--- a/src/org/openscience/cdk/isomorphism/matchers/QueryAtomContainerCreator.java
+++ b/src/org/openscience/cdk/isomorphism/matchers/QueryAtomContainerCreator.java
@@ -112,7 +112,7 @@ public static QueryAtomContainer createAnyAtomContainer(IAtomContainer container
         IAtom[] atoms = container.getAtoms();
 
         for (int i = 0; i < atoms.length; i++) {
-            if (aromaticity && atoms[i].getFlag(CDKConstants.ISAROMATIC)) {
+        	if (aromaticity && atoms[i].getFlag(CDKConstants.ISAROMATIC)) {
                 queryContainer.addAtom(new AromaticAtom());
             } else {
                 queryContainer.addAtom(new AnyAtom());
diff --git a/src/org/openscience/cdk/layout/AtomPlacer.java b/src/org/openscience/cdk/layout/AtomPlacer.java
index 7e9abc3a2ff..ff20e1b423f 100644
--- a/src/org/openscience/cdk/layout/AtomPlacer.java
+++ b/src/org/openscience/cdk/layout/AtomPlacer.java
@@ -359,7 +359,7 @@ public void placeLinearChain(IAtomContainer ac, Vector2d initialBondVector, doub
 					logger.debug("Excpetion in detecting E/Z. This could mean that cleanup does not respect E/Z");
 				}
 				bondVector = getNextBondVector(nextAtom, atom, GeometryTools.get2DCenter(molecule),trans);
-			} else {
+			}else{
 				bondVector = getNextBondVector(nextAtom, atom, GeometryTools.get2DCenter(molecule),true);
 			}
 		}
@@ -377,6 +377,7 @@ public void placeLinearChain(IAtomContainer ac, Vector2d initialBondVector, doub
 	 *@param  previousAtom     The preceding atom for angle calculation
 	 *@param  distanceMeasure  A point from which the next atom is to be farmost
 	 *      away
+	 *@param   trabs           if true E (trans) configurations are built, false makes Z (cis) configurations
 	 *@return                  A vector pointing to the location of the next atom
 	 *      to draw
 	 */
diff --git a/src/org/openscience/cdk/modeling/builder3d/TemplateHandler3D.java b/src/org/openscience/cdk/modeling/builder3d/TemplateHandler3D.java
index 6e021e82d49..39ab32ba48c 100644
--- a/src/org/openscience/cdk/modeling/builder3d/TemplateHandler3D.java
+++ b/src/org/openscience/cdk/modeling/builder3d/TemplateHandler3D.java
@@ -36,7 +36,6 @@
 import java.util.Vector;
 import java.util.zip.GZIPInputStream;
 
-import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.DefaultChemObjectBuilder;
 import org.openscience.cdk.Molecule;
@@ -44,6 +43,7 @@
 import org.openscience.cdk.SetOfMolecules;
 import org.openscience.cdk.exception.CDKException;
 import org.openscience.cdk.fingerprint.Fingerprinter;
+import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.io.iterator.IteratingMDLReader;
 import org.openscience.cdk.isomorphism.UniversalIsomorphismTester;
 import org.openscience.cdk.isomorphism.matchers.QueryAtomContainer;
@@ -81,8 +81,6 @@ public TemplateHandler3D() {
 	public void loadTemplates() throws CDKException{
 		//System.out.println("TEMPLATE START");
 		IteratingMDLReader imdl=null;
-		int [] statistics=new int [13];
-		//int maxRingSize=0;
 		InputStream ins = null;
 		BufferedReader fin =null;
 			
@@ -93,7 +91,6 @@ public void loadTemplates() throws CDKException{
 		}catch (Exception exc1){
 			throw new CDKException("Problems loading file ringTemplateStructures.sdf.gz", exc1);
 		}
-		//System.out.println("TEMPLATE addMolecule");
 		Molecule molecule=null;
 		while (imdl.hasNext()){
 			molecule=(Molecule) imdl.next();
@@ -162,11 +159,10 @@ public void mapTemplates(IAtomContainer ringSystems, double NumberOfRingAtoms) t
 			if (template.getAtomCount()!=ringSystems.getAtomCount()){
 					continue;
 			}
-			if (Fingerprinter.isSubset(ringSystemFingerprint,(BitSet)fingerprintData.get(i))){
-				query=QueryAtomContainerCreator.createAnyAtomContainer(template,true);
+      	if (Fingerprinter.isSubset(ringSystemFingerprint,(BitSet)fingerprintData.get(i))){
+      			query=QueryAtomContainerCreator.createAnyAtomContainer(template,true);
 				if (UniversalIsomorphismTester.isSubgraph((org.openscience.cdk.AtomContainer)ringSystems,query)){
 					List list = UniversalIsomorphismTester.getSubgraphAtomsMap((org.openscience.cdk.AtomContainer)ringSystems,query);
-					//System.out.println("Found a subgraph mapping of size " + list.size()+" Position:"+i+" RingSize:"+NumberOfRingAtoms);
 					if ((NumberOfRingAtoms)/list.size()==1){
 						flagMaxSubstructure=true;
 					}
diff --git a/src/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java b/src/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java
index 915e346433e..267011c4563 100644
--- a/src/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java
+++ b/src/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java
@@ -39,7 +39,7 @@
 
 /**
  *  The number of rotatable bonds is given by the SMARTS specified by Daylight on
- *  <a href="http://www.daylight.com/dayhtml_tutorials/languages/smarts/smarts_examples.html#EXMPL">SMARTS tutorial</a>
+ *  <a href="http://www.daylight.com/dayhtml_tutorials/languages/smarts/smarts_examples.html#EXMPL">SMARTS tutorial</a><p>
  *
  * <p>This descriptor uses these parameters:
  * <table border="1">
diff --git a/src/org/openscience/cdk/renderer/AbstractRenderer2D.java b/src/org/openscience/cdk/renderer/AbstractRenderer2D.java
index ced18b53a42..c5c75289bc1 100644
--- a/src/org/openscience/cdk/renderer/AbstractRenderer2D.java
+++ b/src/org/openscience/cdk/renderer/AbstractRenderer2D.java
@@ -236,12 +236,12 @@ public void paintAtom(IAtomContainer container, IAtom atom, Graphics2D graphics)
 	{
 		logger.debug("Painting atom ");
 		Color atomBackColor = r2dm.getAtomBackgroundColor(atom);
-		if (atom.equals(r2dm.getHighlightedAtom()))
+		if (atom.equals(r2dm.getHighlightedAtom()) || (r2dm.getSelectedPart()!=null && (r2dm.getSelectedPart().contains(r2dm.getHighlightedAtom()) || r2dm.getSelectedPart().contains(r2dm.getHighlightedBond())) && r2dm.getSelectedPart().contains(atom)) || (r2dm.getSelectedPart()!=null && r2dm.getSelectedPart().getAtomCount()==1 && r2dm.getSelectedPart().getAtomAt(0)==atom))
 		{
 			paintColouredAtomBackground(atom, r2dm.getHighlightColor(), graphics);
 		}
 		if(r2dm.getMerge().get(atom)!=null || r2dm.getMerge().values().contains(atom)){
-			paintColouredAtomBackground(atom, Color.MAGENTA, graphics);
+			paintColouredAtomBackground(atom, r2dm.getHighlightColor(),graphics);
 		}
 
 		int alignment = GeometryTools.getBestAlignmentForLabel(container, atom);
@@ -302,6 +302,7 @@ public void paintAtom(IAtomContainer container, IAtom atom, Graphics2D graphics)
       paintAtomSymbol(atom, atomBackColor, graphics, alignment,
 					atom.getProperty("OriginalNumber")!=null ? ((Integer)atom.getProperty("OriginalNumber")).intValue()+1 : container.getAtomNumber(atom) + 1, isRadical);
 		}
+		
 		if (r2dm.getShowTooltip() && atom == r2dm.getHighlightedAtom() && r2dm.getToolTipText(r2dm.getHighlightedAtom()) != null)
 		{
 			paintToolTip(atom, graphics, container.getAtomNumber(atom) + 1);
@@ -843,7 +844,7 @@ public void paintBonds(IAtomContainer atomCon, RingSet ringSet, Graphics2D graph
 			{
 				bondColor = r2dm.getForeColor();
 			}
-			if (currentBond == r2dm.getHighlightedBond())
+			if (currentBond == r2dm.getHighlightedBond() && (r2dm.getSelectedPart()==null || !r2dm.getSelectedPart().contains(currentBond)))
 			{
 				bondColor = r2dm.getHighlightColor();
 				for (int j = 0; j < currentBond.getAtomCount(); j++)
@@ -1081,7 +1082,7 @@ public void paintSingleBond(org.openscience.cdk.interfaces.IBond bond, Color bon
 	{
 		if (GeometryTools.has2DCoordinates(bond))
 		{
-            paintOneBond(GeometryTools.getBondCoordinates(bond), bondColor, graphics);
+			paintOneBond(GeometryTools.getBondCoordinates(bond), bondColor, graphics);
 		}
 	}
 
@@ -1183,7 +1184,7 @@ public void paintOneBond(int[] coords, Color bondColor, Graphics2D graphics)
 		graphics.setColor(bondColor);
         int[] newCoords = GeometryTools.distanceCalculator(coords, r2dm.getBondWidth() / 2);
 		int[] screenCoords = getScreenCoordinates(newCoords);
-		int[] xCoords = {screenCoords[0], screenCoords[2], screenCoords[4], screenCoords[6]};
+    int[] xCoords = {screenCoords[0], screenCoords[2], screenCoords[4], screenCoords[6]};
 		int[] yCoords = {screenCoords[1], screenCoords[3], screenCoords[5], screenCoords[7]};
         graphics.fillPolygon(xCoords, yCoords, 4);
 	}
diff --git a/src/org/openscience/cdk/renderer/Renderer2D.java b/src/org/openscience/cdk/renderer/Renderer2D.java
index a54828e71ac..0def5e0ada3 100644
--- a/src/org/openscience/cdk/renderer/Renderer2D.java
+++ b/src/org/openscience/cdk/renderer/Renderer2D.java
@@ -31,6 +31,7 @@
 
 import java.awt.Color;
 import java.awt.Graphics2D;
+import java.awt.Point;
 import java.util.Iterator;
 
 import org.openscience.cdk.CDKConstants;
@@ -77,6 +78,9 @@
  */
 public class Renderer2D extends SimpleRenderer2D
 {
+	
+	int oldbondcount=0;
+	int oldatomcount=0;
 
 	/**
 	 *  Constructs a Renderer2D with a default settings model.
@@ -123,7 +127,23 @@ public void paintChemModel(IChemModel model, Graphics2D graphics)
 		{
 			logger.debug("setOfMolecules is null");
 		}
-	
+		if(r2dm.getRotateRadius()!=0){
+			graphics.setColor(r2dm.getHighlightColor());
+			int radius=(int)getScreenSize((int)r2dm.getRotateRadius());
+			int[] provCoords={(int)r2dm.getRotateCenter()[0],(int)r2dm.getRotateCenter()[1]};
+			int[] screenCoords = this.getScreenCoordinates(provCoords);
+			graphics.drawOval(screenCoords[0]-radius,screenCoords[1]-radius,radius*2,radius*2);
+			graphics.drawLine(screenCoords[0]-radius,screenCoords[1],screenCoords[0]-radius-radius/2,screenCoords[1]-radius/2);
+			graphics.drawLine(screenCoords[0]-radius,screenCoords[1],screenCoords[0]-radius+radius/2,screenCoords[1]-radius/2);
+			graphics.drawLine(screenCoords[0]+radius,screenCoords[1],screenCoords[0]+radius-radius/2,screenCoords[1]+radius/2);
+			graphics.drawLine(screenCoords[0]+radius,screenCoords[1],screenCoords[0]+radius+radius/2,screenCoords[1]+radius/2);
+		}
+		if(r2dm.getSelectRect()!=null){
+			graphics.setColor(r2dm.getHighlightColor());
+			int[] worldCoords={r2dm.getSelectRect().xpoints[0],r2dm.getSelectRect().ypoints[0],r2dm.getSelectRect().xpoints[1],r2dm.getSelectRect().ypoints[1],r2dm.getSelectRect().xpoints[2],r2dm.getSelectRect().ypoints[2],r2dm.getSelectRect().xpoints[3],r2dm.getSelectRect().ypoints[3]};
+			int[] screenCoords = getScreenCoordinates(worldCoords);
+			graphics.drawRect(screenCoords[0]<screenCoords[4] ? screenCoords[0] : screenCoords[4],screenCoords[1]<screenCoords[3] ? screenCoords[1] : screenCoords[3],Math.abs(screenCoords[0]-screenCoords[4]), Math.abs(screenCoords[1]-screenCoords[3]));
+		}
 	}
 
 
@@ -167,10 +187,19 @@ public void paintSetOfMolecules(org.openscience.cdk.interfaces.ISetOfMolecules m
 		}else{
 			molecules=moleculeSet.getMolecules();
 		}
+		int bondcount=0;
+		int atomcount=0;
+		for (int i = 0; i < molecules.length; i++){
+			bondcount+=molecules[i].getBondCount();
+			atomcount+=molecules[i].getAtomCount();
+		}
+		boolean redossr=false;
+		if(bondcount!=oldbondcount || atomcount!=oldatomcount)
+			redossr=true;
 		for (int i = 0; i < molecules.length; i++)
 		{
 			logger.debug("painting molecule " + i);
-			paintMolecule(molecules[i], graphics,false);
+			paintMolecule(molecules[i], graphics,false, redossr);
 		}
 		if(r2dm.getMerge()!=null){
 			Iterator it=r2dm.getMerge().keySet().iterator();
@@ -178,11 +207,13 @@ public void paintSetOfMolecules(org.openscience.cdk.interfaces.ISetOfMolecules m
 				IAtom atom1=(IAtom)it.next();
 				int[] coords = { (int)atom1.getPoint2d().x,(int)atom1.getPoint2d().y};
 				int[] screenCoords = getScreenCoordinates(coords);
-				graphics.setColor(Color.MAGENTA);
+				graphics.setColor(r2dm.getHighlightColor());
 				graphics.drawOval((int)(screenCoords[0]-r2dm.getBondLength()/2),(int)(screenCoords[1]-r2dm.getBondLength()/2),(int)r2dm.getBondLength(),(int)r2dm.getBondLength());
 				
 			}
 		}
+		oldbondcount=bondcount;
+		oldatomcount=atomcount;
 	}
 
 
@@ -281,11 +312,11 @@ public void paintReaction(IReaction reaction, Graphics2D graphics) {
 	
 		// paint reactants content
 		if (r2dm.getShowReactionBoxes()) paintBoundingBox(minmaxReactants, "Reactants", width, graphics);
-		paintMolecule(reactantContainer, graphics,false);
+		paintMolecule(reactantContainer, graphics,false,true);
 	
 		// paint products content
 		if (r2dm.getShowReactionBoxes()) paintBoundingBox(minmaxProducts, "Products", width, graphics);
-		paintMolecule(productContainer, graphics,false);
+		paintMolecule(productContainer, graphics,false,true);
 	
 		if (productContainer.getAtomCount() > 0 && reactantContainer.getAtomCount() > 0)
 		{
diff --git a/src/org/openscience/cdk/renderer/Renderer2DModel.java b/src/org/openscience/cdk/renderer/Renderer2DModel.java
index 711389d8b6f..034faa5333a 100644
--- a/src/org/openscience/cdk/renderer/Renderer2DModel.java
+++ b/src/org/openscience/cdk/renderer/Renderer2DModel.java
@@ -141,6 +141,9 @@ public class Renderer2DModel implements java.io.Serializable, Cloneable
     private boolean compact=false;
     
 	private HashMap merge=new HashMap();
+	
+	private double[] rotateCenter=null;
+	private double rotateRadius=0;
     
     /**
      * @return null if no custom font set
@@ -957,10 +960,21 @@ public HashMap getMerge() {
 	return merge;
 }
 
-/**
- * @param merge The merge to set.
- */
-public void setMerge(HashMap merge) {
-	this.merge = merge;
+
+public double[] getRotateCenter() {
+	return rotateCenter;
+}
+
+public void setRotateCenter(double x, double y) {
+	double[] rotateCenter={x,y};
+	this.rotateCenter = rotateCenter;
+}
+
+public double getRotateRadius() {
+	return rotateRadius;
+}
+
+public void setRotateRadius(double rotateRadius) {
+	this.rotateRadius = rotateRadius;
 }
 }
diff --git a/src/org/openscience/cdk/renderer/SimpleRenderer2D.java b/src/org/openscience/cdk/renderer/SimpleRenderer2D.java
index 77ae7ae6f00..b451742de2a 100644
--- a/src/org/openscience/cdk/renderer/SimpleRenderer2D.java
+++ b/src/org/openscience/cdk/renderer/SimpleRenderer2D.java
@@ -35,6 +35,7 @@
 import org.openscience.cdk.RingSet;
 import org.openscience.cdk.geometry.GeometryTools;
 import org.openscience.cdk.graph.ConnectivityChecker;
+import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.ringsearch.SSSRFinder;
 
 /**
@@ -68,6 +69,8 @@
 public class SimpleRenderer2D extends AbstractRenderer2D
 {
 
+	RingSet ringSet;
+	
 	/**
 	 *  Constructs a Renderer2D with a default settings model.
 	 */
@@ -95,8 +98,9 @@ public SimpleRenderer2D(Renderer2DModel r2dm)
 	 *@param  atomCon   Description of the Parameter
 	 *@param  graphics  Description of the Parameter
 	 *@param  split     If true the molecule will be partitioned in single molecules before painted. Typically not needed a performance killler
+	 *@param  redossr   If true a new rind detection is done
 	 */
-	public void paintMolecule(org.openscience.cdk.interfaces.IAtomContainer atomCon, Graphics2D graphics, boolean split) {
+	public void paintMolecule(org.openscience.cdk.interfaces.IAtomContainer atomCon, Graphics2D graphics, boolean split, boolean redossr) {
         logger.debug("inside paintMolecule()");
 		customizeRendering(graphics);
 		RingSet ringSet = new RingSet();
@@ -114,6 +118,8 @@ public void paintMolecule(org.openscience.cdk.interfaces.IAtomContainer atomCon,
 			);
 		}
 		
+		if(redossr)
+			ringSet = new RingSet();
 		org.openscience.cdk.interfaces.IAtomContainer[] molecules = null;
 		if(split){
 			try
@@ -129,10 +135,8 @@ public void paintMolecule(org.openscience.cdk.interfaces.IAtomContainer atomCon,
 			molecules=new org.openscience.cdk.interfaces.IAtomContainer[1];
 			molecules[0]=atomCon;
 		}
-		for (int i = 0; i < molecules.length; i++)
-		{
-			SSSRFinder sssrf = new SSSRFinder(molecules[i]);
-			ringSet.add(sssrf.findSSSR());
+		if(redossr){
+			redoSSSR(molecules);
 		}
         paintBonds(atomCon, ringSet, graphics);
 		paintAtoms(atomCon, graphics);
@@ -144,6 +148,16 @@ public void paintMolecule(org.openscience.cdk.interfaces.IAtomContainer atomCon,
 		paintLassoLines(graphics);
 	
 	}
+	
+	public void redoSSSR(IAtomContainer[] molecules){
+			if(ringSet==null)
+				ringSet=new RingSet();
+			for (int i = 0; i < molecules.length; i++)
+			{
+				SSSRFinder sssrf = new SSSRFinder(molecules[i]);
+				ringSet.add(sssrf.findSSSR());
+			}
+	}
 
 }
 
diff --git a/src/org/openscience/cdk/smiles/SmilesParser.java b/src/org/openscience/cdk/smiles/SmilesParser.java
index 79a54bdf925..7142af5b29d 100644
--- a/src/org/openscience/cdk/smiles/SmilesParser.java
+++ b/src/org/openscience/cdk/smiles/SmilesParser.java
@@ -260,7 +260,7 @@ public org.openscience.cdk.Molecule parseSmiles(String smiles) throws InvalidSmi
 					{
 						logger.debug("Creating bond between ", atom.getSymbol(), " and ", lastNode.getSymbol());
 						bond = new Bond(atom, lastNode, bondStatus);
-                        if (bondIsAromatic) {
+						            if (bondIsAromatic) {
                             bond.setFlag(CDKConstants.ISAROMATIC, true);
                         }
 						molecule.addBond(bond);
@@ -340,7 +340,7 @@ public org.openscience.cdk.Molecule parseSmiles(String smiles) throws InvalidSmi
 					if (lastNode != null && bondExists)
 					{
 						bond = new Bond(atom, lastNode, bondStatus);
-                        if (bondIsAromatic) {
+						            if (bondIsAromatic) {
                             bond.setFlag(CDKConstants.ISAROMATIC, true);
                         }
 						molecule.addBond(bond);
@@ -821,7 +821,8 @@ private void handleRing(Atom atom)
 		{
 			partner = thisNode;
 			bond = new Bond(atom, partner, bondStat);
-            if (bondIsAromatic) {
+			      if (bondIsAromatic) {
+            	
                 bond.setFlag(CDKConstants.ISAROMATIC, true);
             }
 			molecule.addBond(bond);
diff --git a/src/org/openscience/cdk/test/fingerprint/FingerprinterTest.java b/src/org/openscience/cdk/test/fingerprint/FingerprinterTest.java
index 32bf069adc2..3bd5f8240ca 100644
--- a/src/org/openscience/cdk/test/fingerprint/FingerprinterTest.java
+++ b/src/org/openscience/cdk/test/fingerprint/FingerprinterTest.java
@@ -32,6 +32,7 @@
 
 import java.io.InputStream;
 import java.io.InputStreamReader;
+import java.math.BigInteger;
 import java.util.BitSet;
 
 import junit.framework.Test;
@@ -374,6 +375,12 @@ public static Molecule makeFragment3()
 	public static void main(String[] args)
 	{
 		try{
+			
+			BigInteger bi=new BigInteger("0");
+			bi=bi.add(BigInteger.valueOf((long) Math.pow(2, 63)));
+			System.err.println(bi.toString());
+			bi=bi.add(BigInteger.valueOf((long) Math.pow(2, 0)));
+			System.err.println(bi.toString());
 			FingerprinterTest fpt = new FingerprinterTest("FingerprinterTest");
 			fpt.standAlone = true;
 			//fpt.testFingerprinter();
diff --git a/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java b/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java
index 09150f50c14..83d9344a918 100644
--- a/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java
+++ b/src/org/openscience/cdk/test/modeling/builder3d/ModelBuilder3dTest.java
@@ -2,7 +2,7 @@
  *  $RCSfile$
  *  $Author$
  *  $Date$
- *   *
+ *
  *  Copyright (C) 1997-2005  The Chemistry Development Kit (CDK) project
  *
  *  Contact: cdk-devel@list.sourceforge.net
@@ -31,9 +31,6 @@
 import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IChemObjectBuilder;
 import org.openscience.cdk.interfaces.IMolecule;
-import org.openscience.cdk.isomorphism.UniversalIsomorphismTester;
-import org.openscience.cdk.isomorphism.matchers.QueryAtomContainer;
-import org.openscience.cdk.isomorphism.matchers.QueryAtomContainerCreator;
 import org.openscience.cdk.modeling.builder3d.ModelBuilder3D;
 import org.openscience.cdk.smiles.SmilesParser;
 import org.openscience.cdk.test.CDKTestCase;
diff --git a/src/org/openscience/cdk/test/renderer/Renderer2DTest.java b/src/org/openscience/cdk/test/renderer/Renderer2DTest.java
index 84aa879e6e5..67b7919334d 100644
--- a/src/org/openscience/cdk/test/renderer/Renderer2DTest.java
+++ b/src/org/openscience/cdk/test/renderer/Renderer2DTest.java
@@ -2,7 +2,7 @@
  * $Author$
  * $Date$
  * $Revision$
- *
+ * 
  * Copyright (C) 1997-2005  The Chemistry Development Kit (CDK) project
  *
  * Contact: cdk-devel@lists.sourceforge.net
@@ -102,7 +102,7 @@ public Renderer2DTest(String inFile)
 	public void paint(Graphics g)
 	{
 		super.paint(g);
-		renderer.paintMolecule((org.openscience.cdk.interfaces.IAtomContainer)molecule, (Graphics2D)g, false);
+		renderer.paintMolecule(molecule, (Graphics2D)g,false,true);
 	}
 
 	/**
diff --git a/src/org/openscience/cdk/test/structgen/RandomStructureGeneratorTest.java b/src/org/openscience/cdk/test/structgen/RandomStructureGeneratorTest.java
index e3c26575de9..82c0e564f04 100644
--- a/src/org/openscience/cdk/test/structgen/RandomStructureGeneratorTest.java
+++ b/src/org/openscience/cdk/test/structgen/RandomStructureGeneratorTest.java
@@ -1,4 +1,4 @@
-/* $RCSfile$    
+/* $RCSfile$ 
  * $Author$    
  * $Date$    
  * $Revision$
@@ -23,6 +23,8 @@
  */
 package org.openscience.cdk.test.structgen;
 
+import java.io.IOException;
+import java.io.OptionalDataException;
 import java.util.Vector;
 
 import javax.vecmath.Vector2d;
@@ -33,10 +35,14 @@
 import org.openscience.cdk.Molecule;
 import org.openscience.cdk.applications.swing.MoleculeListViewer;
 import org.openscience.cdk.applications.swing.MoleculeViewer2D;
+import org.openscience.cdk.config.IsotopeFactory;
+import org.openscience.cdk.exception.CDKException;
 import org.openscience.cdk.layout.StructureDiagramGenerator;
+import org.openscience.cdk.smiles.SmilesGenerator;
 import org.openscience.cdk.structgen.RandomGenerator;
 import org.openscience.cdk.templates.MoleculeFactory;
 import org.openscience.cdk.test.CDKTestCase;
+import org.openscience.cdk.tools.HydrogenAdder;
 
 /**
  * @cdk.module test
@@ -45,16 +51,14 @@ public class RandomStructureGeneratorTest extends CDKTestCase
 {
 	public boolean debug = false;
 	boolean standAlone = false;
-
-	public MoleculeListViewer moleculeListViewer = null;
-    
+	MoleculeListViewer listviewer;
+	
     public RandomStructureGeneratorTest(String name) {
         super(name);
     }
     
     public RandomStructureGeneratorTest() {
         this("RandomStructureGeneratorTest");
-        moleculeListViewer = new MoleculeListViewer();
     }
 
 	public void setStandAlone(boolean standAlone)
@@ -76,11 +80,12 @@ public void testIt()
 		Vector structures = new Vector();	
 		Molecule mol = null;
 		Molecule molecule = MoleculeFactory.makeAlphaPinene();
+		listviewer = new MoleculeListViewer();
 		//System.out.println(molecule);
 		RandomGenerator rg = new RandomGenerator();
 		rg.setMolecule(molecule);
 	
-		for (int f = 0; f < 1000; f++)
+		for (int f = 0; f < 20; f++)
 		{
 			if (debug) System.out.println("Proposing structure no. " + f);
 			if (debug) System.out.println("Entering rg.proposeStructure()");
@@ -117,17 +122,21 @@ public void testIt()
 	}
 
 
+	/**
+	 * @param structures
+	 * @return
+	 */
 	private boolean everythingOk(Vector structures)
 	{
-		StructureDiagramGenerator sdg = null;
-		MoleculeViewer2D mv = null;
+		StructureDiagramGenerator sdg = null; 
 		Molecule mol = null;
-		for (int f = 0; f < structures.size(); f+=100)
+		if (debug) System.out.println("number of structures in vector: " + structures.size());
+		for (int f = 0; f < structures.size(); f++)
 		{
 			sdg = new StructureDiagramGenerator();
 
 			mol = (Molecule)structures.elementAt(f);
-			sdg.setMolecule((Molecule)mol.clone());
+			sdg.setMolecule(mol);
 
 			try
 			{
@@ -139,12 +148,7 @@ private boolean everythingOk(Vector structures)
 				fail("*** Exit due to an unexpected error during coordinate generation ***");
 			}
             if (standAlone) {
-                mv.setAtomContainer(sdg.getMolecule());
-                mv = new MoleculeViewer2D();
-                //			Renderer2DModel r2dm = new Renderer2DModel();
-                //			r2dm.setDrawNumbers(true);
-                //			mv.setRenderer2DModel(r2dm);
-                moleculeListViewer.addStructure(mv, "RandomGent Result no. " + (f + 1));
+            	 listviewer.addStructure(mol, true, false, "");
             }
 		}
 		return true;
diff --git a/src/org/openscience/cdk/test/tools/MFAnalyserTest.java b/src/org/openscience/cdk/test/tools/MFAnalyserTest.java
index ec274412591..f50e4541cd7 100644
--- a/src/org/openscience/cdk/test/tools/MFAnalyserTest.java
+++ b/src/org/openscience/cdk/test/tools/MFAnalyserTest.java
@@ -67,6 +67,14 @@ public void testAnalyseMF()	{
 		assertEquals("C10H16", mf);
 	}
 	
+	public void testGetDBE() throws Exception{
+        SmilesParser parser = new SmilesParser();
+        Molecule mol = parser.parseSmiles("C[Zn]C");
+        MFAnalyser mfa=new MFAnalyser(mol);
+        float dbes=mfa.getDBE();
+		System.err.println(dbes+"");
+	}
+	
     public void testGetAtomContainer() {
         MFAnalyser mfa = new MFAnalyser("C10H16", new org.openscience.cdk.AtomContainer());
         IAtomContainer ac = mfa.getAtomContainer();
diff --git a/src/org/openscience/cdk/tools/MFAnalyser.java b/src/org/openscience/cdk/tools/MFAnalyser.java
index 6dc4d55081d..10de3d0c64f 100644
--- a/src/org/openscience/cdk/tools/MFAnalyser.java
+++ b/src/org/openscience/cdk/tools/MFAnalyser.java
@@ -72,6 +72,7 @@ public class MFAnalyser {
 	private IAtomContainer atomContainer;
 	private int HCount = 0;
 	HashMap massMap=new HashMap();
+	private boolean useboth=false;
 
 	/**
 	 * Construct an instance of MFAnalyser, initialized with a molecular
@@ -96,6 +97,19 @@ public MFAnalyser(String MF, IAtomContainer target) {
 	 * @param  ac  Description of the Parameter
 	 */
 	public MFAnalyser(IAtomContainer ac) {
+		this(ac,false);
+	}
+	
+	/**
+	 * Construct an instance of MFAnalyser, initialized with a set of Nodes
+	 * The set is analysed and a molecular formular is constructed
+	 *  based on this analysis
+	 *
+	 * @param  ac  Description of the Parameter
+	 * @param  useboth true=implicit and explicit hs will be used, false=explicit used, implicit only if no explicit
+	 */
+	public MFAnalyser(IAtomContainer ac, boolean useboth) {
+		this.useboth=useboth;
 		this.atomContainer = ac;
 		this.MF = analyseAtomContainer(ac);
 		initMassMap();
@@ -639,13 +653,23 @@ public String analyseAtomContainer(IAtomContainer ac) {
 			}
 		}
 		mf = addSymbolToFormula(symbols, "C", mf);
-		if (symbols.get(H_ELEMENT_SYMBOL) != null) {
-			mf = addSymbolToFormula(symbols, H_ELEMENT_SYMBOL, mf);
-		} else {
-			if (HCount > 0) {
+		if(useboth){
+			if(symbols.get(H_ELEMENT_SYMBOL)!=null)
+				HCount+=((Integer)symbols.get(H_ELEMENT_SYMBOL)).intValue();
+			if (HCount > 0)
 				mf += H_ELEMENT_SYMBOL;
-				if (HCount > 1) {
-					mf += Integer.toString(HCount);
+			if (HCount > 1) {
+				mf += Integer.toString(HCount);
+			}
+		}else{
+			if (symbols.get(H_ELEMENT_SYMBOL) != null) {
+				mf = addSymbolToFormula(symbols, H_ELEMENT_SYMBOL, mf);
+			} else {
+				if (HCount > 0) {
+					mf += H_ELEMENT_SYMBOL;
+					if (HCount > 1) {
+						mf += Integer.toString(HCount);
+					}
 				}
 			}
 		}
@@ -793,7 +817,7 @@ public Hashtable getFormulaHashtable() {
 	 * @see #getHTMLMolecularFormula()
 	 */
 	public String getHTMLMolecularFormulaWithCharge() {
-		String formula = new MFAnalyser(atomContainer).getHTMLMolecularFormula();
+		String formula = new MFAnalyser(atomContainer,useboth).getHTMLMolecularFormula();
 		int charge = AtomContainerManipulator.getTotalFormalCharge(atomContainer);
 		if (charge == 0)
 		{