egonw (Egon Willighagen)

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Name: Egon Willighagen

Website/Blog: http://chem-bla-ics.blogspot.com/

Location: Uppsala, Sweden

Member Since: Sep 29, 2008 (about 1 year)

33 public repos
11 followers

Following 6 githubbers and watching 52 repositories view all →

Public Repositories (33)

- 5
- 5
bioclipse.cheminformatics

Bioclipse2 Cheminformatics.

Last updated Tue Nov 24 05:51:14 -0800 2009
- 7
- 4
cdk

The Chemistry Development Kit

Last updated Mon Nov 23 05:08:59 -0800 2009
- 2
- 2
ojdcheck

OpenJavaDocCheck

Last updated Thu Nov 12 22:56:20 -0800 2009
- 2
- 2
bioclipse.social

Bioclipse Social - Linking Bioclipse to the Social Web.

Last updated Thu Nov 05 04:24:04 -0800 2009
- 6
- 5
bioclipse.rdf

Bioclipse2 RDF.

Last updated Thu Nov 05 04:22:51 -0800 2009
- 1
- 1
bioclipse.joelib

Bioclipse Git Repository for JOELib, http://joelib.sf.net/.

Last updated Thu Nov 05 04:22:26 -0800 2009
- 1
- 0
nmrshiftdb-rdf

RDF interface to the NMRShiftDB data.

Last updated Tue Nov 03 01:52:14 -0800 2009
- 3
- 2
blueobelisk.userscript

Blue Obelisk Userscripts

Last updated Sun Nov 01 01:49:07 -0800 2009
- 1
- 4
bioclipse.statistics

Bioclipse2 Statistics.

Forked from olas/bioclipse.statistics Wed Jul 15 02:54:25 -0700 2009

Last updated Mon Oct 26 08:58:25 -0700 2009
- 3
- 3
RobotDF

Google Wave robot for RDF functionality

Last updated Fri Oct 23 13:00:00 -0700 2009
- 1
- 0
egonw.github.com

Private Homepage

Last updated Sat Oct 17 11:41:02 -0700 2009
- 9
- 4
cheminfbenchmark

Cheminformatics Benchmark Toolkit

Last updated Tue Oct 13 08:10:10 -0700 2009
- 1
- 1
bioclipse.metabolomics

Metabolomics Feature

Last updated Thu Oct 08 02:23:18 -0700 2009
- 1
- 4
bioclipse.qsar

Bioclipse2 QSAR.

Forked from olas/bioclipse.qsar Mon Aug 24 09:07:16 -0700 2009

Last updated Wed Oct 07 06:20:31 -0700 2009
- 5
- 1
bioclipse.sdk

Bioclipse Software Development Toolkit

Last updated Wed Sep 23 23:46:08 -0700 2009
- 1
- 2
bioclipse.drprolog

Plugin for intregration of DR-PROLOG in Bioclipse

Forked from samuell/bioclipse.drprolog Wed Sep 09 11:51:18 -0700 2009

Last updated Thu Sep 10 15:35:19 -0700 2009
- 1
- 2
bioclipse.medea

MEDEA functionality in Bioclipse, for massspectroscopy-based structure elucidation.

Forked from miguelrojasch/bioclipse.medea Tue Jul 21 07:51:07 -0700 2009

Last updated Mon Sep 07 03:13:56 -0700 2009
- 4
- 1
CDKitty

The Chemistry Development Kit Google Wave Robot

Last updated Thu Sep 03 07:30:23 -0700 2009
- 1
- 3
java-rdfa

RDFa Parser for java

Forked from shellac/java-rdfa Thu Oct 01 06:56:16 -0700 2009

Last updated Mon Aug 24 15:13:14 -0700 2009
- 4
- 2
onssolubility

Open Notebook Science Solubility Project

Last updated Thu Aug 20 04:20:10 -0700 2009
- 1
- 1
bioclipse.ds

Bioclipe2 Decision Support.

Forked from olas/bioclipse.ds Wed Jul 15 07:06:58 -0700 2009

Last updated Wed Aug 19 06:38:59 -0700 2009
- 1
- 3
bioclipse.data

Bioclipse2 Data: including the Blue Obelisk Structure data set and and older DrugBank version.

Forked from olas/bioclipse.data Sat Jul 18 02:37:15 -0700 2009

Last updated Wed Aug 05 09:09:58 -0700 2009
- 1
- 2
medea_bmc_article

LaTeX sources for the J. Chem. Inf. article on Medea

Forked from steinbeck/medea_bmc_article Tue Jul 21 08:12:26 -0700 2009

Last updated Tue Jul 21 08:08:44 -0700 2009
- 1
- 2
bioclipse.experimental

Bioclipse2 Experimental features

Forked from olas/bioclipse.experimental Sat Jul 18 02:45:55 -0700 2009

Last updated Fri Jul 17 13:04:47 -0700 2009
- 1
- 2
biotools

Simple tools for teaching biology

Forked from cniehaus/biotools Thu Jul 09 23:46:35 -0700 2009

Last updated Sat Jul 04 01:38:48 -0700 2009
- 1
- 2
VFLib

CDK compatible VF library for substructure and MCS search

Forked from asad/VFLib Sat Jul 04 13:25:23 -0700 2009

Last updated Tue Jun 30 19:07:00 -0700 2009
- 1
- 0
rednael

IRC bot that propagates Git commit messages.

Last updated Mon May 25 03:36:57 -0700 2009
- 1
- 0
pubchem-cdk

PubChem from a CDK perspective.

Last updated Fri May 08 06:17:53 -0700 2009
- 1
- 0
ron

Tools for rdf.openmolecule.net

Last updated Fri May 08 01:50:14 -0700 2009
- 2
- 0
gtd

Git-based ToDo tool.

Last updated Wed Apr 08 01:12:06 -0700 2009
- 1
- 0
jnchem

Java library to extract data from the Nature Chemistry journal.

Last updated Sat Mar 21 01:17:27 -0700 2009
- 1
- 0
xws-taverna

XWS Plugin for Taverna

Last updated Tue Jan 20 01:58:59 -0800 2009
- 1
- 0
knime-chemspider

Source code for a ChemSpider query API plugin for KNIME.

Last updated Mon Dec 01 00:23:34 -0800 2008

Public Activity

egonw commented on rajarshi/ojdcheck Tue Nov 24 06:27:03 -0800 2009

Comment in 8b4f276:

Rajarshi, can you do a rebase? The patch does not apply according to the GitHub web interface...

egonw commented on rajarshi/ojdcheck Tue Nov 24 06:26:11 -0800 2009

Comment in 4a88b2a:

@inheritDoc inherits the JavaDoc from the super method.

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Tue Nov 24 05:51:15 -0800 2009

HEAD is fc5cdcff160dfce75247a9f40d630388d3af58c0

9 commits »

egonw committed fc5cdcff:

Merge branch '2.2.x' of git://github.com/goglepox/bioclipse.cheminformatics into 2.2.x
Arvid Berg committed 3634fa09:

Make LinkedSelection return a new atomconatiner
Arvid Berg committed ad07265d:

Added check for 0 or Double.NaN bond length
Arvid Berg committed e770d5bf:

SetSymbol converts from pseudo atom
Arvid Berg committed d7769c6f:

Use atom- instead of mouse-coordinates when drawing bonds
Arvid Berg committed bf633c6b:

Makes AddAtom-edit actualy add the atom.
Arvid Berg committed 599ab971:

Sets a default bondLength when it is 0 or NaN
Arvid Berg committed 87bc6396:

Added checks for NaN coordinates for general path.
Arvid Berg committed 3d7ebb44:

MergeEdit is passed a copy of the merge-map.

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Tue Nov 24 05:39:33 -0800 2009

HEAD is ca77a39d033167bb3f602ae6d1cc1f46797f4dd0

jonalv committed ca77a39d:

Need to code against the general interface.

egonw pushed to 2.2.x at olas/bioclipse.core Tue Nov 24 02:24:13 -0800 2009

HEAD is f21406e539ce0a931fa1d85cd62d17a0264f291d

2 commits »

egonw pushed to 2.2.x at olas/bioclipse.core Tue Nov 24 01:35:23 -0800 2009

HEAD is 77296c905b6026a0e2079744aefaf224b21aec5f

3 commits »

egonw pushed to master at egonw/bioclipse.cheminformatics Mon Nov 23 12:40:55 -0800 2009

HEAD is 16b647ebde750091c37f4f91e2121350bdf22c4e

5 commits »

egonw deleted branch 53-ILogger at egonw/cdk Mon Nov 23 05:10:15 -0800 2009

Deleted branch was at egonw/cdk/tree/53-ILogger

egonw pushed to master at egonw/cdk Mon Nov 23 05:09:00 -0800 2009

HEAD is 5c0b0c9b20db90d276f2edadb3a05f5bb40c3a3c

egonw committed 5c0b0c9b:

Branch open for patches after 1.3.1 ...

egonw pushed to master at egonw/cdk Mon Nov 23 05:08:11 -0800 2009

HEAD is c34109572d2d885d79609cd3847ad1704173d036

2 commits »

egonw pushed to cdk-1.2.x at egonw/cdk Mon Nov 23 05:07:39 -0800 2009

HEAD is b867fb296d51c8304953943e053cfc0004f734c1

egonw committed b867fb29:

Added some extra lines, hopefully fixing the conflicts all the time

egonw deleted tag 1.2.3.0bioclipse1 at egonw/cdk Mon Nov 23 05:03:05 -0800 2009

Deleted tag was at egonw/cdk/tree/1.2.3.0bioclipse1

egonw created tag cdk-1.3.1 at egonw/cdk Mon Nov 23 05:02:23 -0800 2009

New tag is at egonw/cdk/tree/cdk-1.3.1

egonw created tag 1.2.3.0bioclipse1 at egonw/cdk Mon Nov 23 05:02:23 -0800 2009

New tag is at egonw/cdk/tree/1.2.3.0bioclipse1

egonw pushed to master at egonw/cdk Wed Nov 18 07:42:01 -0800 2009

HEAD is c31c297a592f8b68e7b7149ac46f814f620990df

8 commits »

egonw committed c31c297a:

Merged changes from the CDK 1.2.4 release
egonw committed 743bad34:

Fixed param name
egonw committed bbb78ee5:

Updated the makefp3d target to work with the current build system
egonw committed 4801d79b:

Set up a branch for the 1.2.4 release
rajarshi committed b67d76ac:

Fixes bug 2898399. Updates to the SMARTS parser to handle proper matching for explicit hydrogens (including H, 1H, 2H and 3H). SMARTSQueryVisitor updated to take into account different isotopes of H. Also updated unit tests to take into account proper H matching. Added a unit test to further check H matching.
mark_rynbeek committed 45a7f54c:

Added tests to match hydrogens
rajarshi committed 7f68b07a:

Reworked the tests for bug 2898032. Updated Javadocs for smiles generator
rajarshi committed 924b5639:

Added unit test to confirm and check for bug 2898032

egonw pushed to cdk-1.2.x at egonw/cdk Wed Nov 18 07:20:22 -0800 2009

HEAD is 553b54ab11c6ef6b4aeb57154238c00ceea6fd3b

egonw committed 553b54ab:

Bumped version number to distinguish from the 1.2.4 release

egonw deleted tag 1.2.3.0bioclipse1 at egonw/cdk Wed Nov 18 06:04:44 -0800 2009

Deleted tag was at egonw/cdk/tree/1.2.3.0bioclipse1

egonw created tag cdk-1.2.4 at egonw/cdk Wed Nov 18 06:04:10 -0800 2009

New tag is at egonw/cdk/tree/cdk-1.2.4

egonw created tag 1.2.3.0bioclipse1 at egonw/cdk Wed Nov 18 06:04:10 -0800 2009

New tag is at egonw/cdk/tree/1.2.3.0bioclipse1

egonw pushed to cdk-1.2.x at egonw/cdk Wed Nov 18 06:03:56 -0800 2009

HEAD is 743bad345e8b8570779d0b94689ff64aa8c67cb0

3 commits »

egonw deleted branch 62-1.2.4release at egonw/cdk Wed Nov 18 06:03:24 -0800 2009

Deleted branch was at egonw/cdk/tree/62-1.2.4release

egonw created branch 62-1.2.4release at egonw/cdk Wed Nov 18 06:03:13 -0800 2009

New branch is at egonw/cdk/tree/62-1.2.4release

egonw pushed to master at egonw/cdk Mon Nov 16 02:39:09 -0800 2009

HEAD is 484619e35da12a736ffbac9031656f7568831475

ulikoehler committed 484619e3:

Fixed junior issue 1816529: Missing Java5 generics for atomContainers() Iterator

egonw pushed to master at egonw/cdk Sun Nov 15 02:14:54 -0800 2009

HEAD is 12bec4f992ac8afb2aaaed70eae8885f74780aa2

ulikoehler committed 12bec4f9:

Fixed junior issue 1802586: Misuse of assertTrue for tested strings

egonw pushed to master at egonw/cdk Sat Nov 14 12:19:37 -0800 2009

HEAD is 8a95d93506b6e392b2b88fe0d238bc0c760ad42d

3 commits »

egonw pushed to cdk-1.2.x at egonw/cdk Sat Nov 14 12:04:31 -0800 2009

HEAD is dfb28054f2124655cfdff963c3fabc1905a763b9

rajarshi committed dfb28054:

Updated UIT to handle single atom queries and added a unit test for bug 2888845. Also updated Javadocs to specifically note behavior of single atom queries

egonw pushed to master at egonw/ojdcheck Thu Nov 12 22:56:21 -0800 2009

HEAD is 0086835bff41cde428e5c855c30dd10bb74f5577

2 commits »

egonw pushed to master at egonw/bioclipse.cheminformatics Thu Nov 12 07:17:33 -0800 2009

HEAD is 8c30dbd607dbdd8bcd25adab422f1e908f828957

11 commits »

Arvid Berg committed 8c30dbd6:

Changed add/remove explicit hydrogens to use IEdits
Arvid Berg committed 7e8ff0df:

Added class check in undo handler
Arvid Berg committed 333ad56b:

Added a selection sub-menu with 'Select All' and 'Sellect Part'
Arvid Berg committed 106c0946:

Added sellectAll and selectPart
Arvid Berg committed 26c596cc:

Added LinkedSelection
Arvid Berg committed 8cdda6bd:

Changed select(IncrementalSelection) to select(IChemObjectSelection)
Arvid Berg committed 5f0829f3:

Added parameter values to managerMethod command
Arvid Berg committed 65094838:

Removed extra bond generator
Arvid Berg committed 60726a10:

Added update of hydrogens after edit.
Arvid Berg committed b3f51393:

Only create atoms and bonds the first time redo is called.
Arvid Berg committed 57fc38fa:

Fixes dirty on Molecules editor

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 12 07:15:12 -0800 2009

HEAD is 8c30dbd607dbdd8bcd25adab422f1e908f828957

8 commits »

Arvid Berg committed 8c30dbd6:

Changed add/remove explicit hydrogens to use IEdits
Arvid Berg committed 7e8ff0df:

Added class check in undo handler
Arvid Berg committed 333ad56b:

Added a selection sub-menu with 'Select All' and 'Sellect Part'
Arvid Berg committed 106c0946:

Added sellectAll and selectPart
Arvid Berg committed 26c596cc:

Added LinkedSelection
Arvid Berg committed 8cdda6bd:

Changed select(IncrementalSelection) to select(IChemObjectSelection)
Arvid Berg committed 5f0829f3:

Added parameter values to managerMethod command
Arvid Berg committed 65094838:

Removed extra bond generator

egonw pushed to master at egonw/cdk Sat Nov 07 08:40:00 -0800 2009

HEAD is 9dc13e3c33fdc360b3cb61e06b074a64394d01a1

egonw committed 9dc13e3c:

Fixed the dist-large target: removed to no longer existing .libdepends after the log4j module patch

egonw pushed to 81-ojdcheck at egonw/cdk Sat Nov 07 08:37:13 -0800 2009

HEAD is f13147feea0bd0ed7cf301b979248a8c6946f291

2 commits »

egonw created branch 81-ojdcheck at egonw/cdk Sat Nov 07 07:41:16 -0800 2009

New branch is at egonw/cdk/tree/81-ojdcheck

egonw deleted branch 81-ojdcheck at egonw/cdk Sat Nov 07 07:41:07 -0800 2009

Deleted branch was at egonw/cdk/tree/81-ojdcheck

egonw created tag 0.1 at egonw/ojdcheck Sat Nov 07 02:12:31 -0800 2009

New tag is at egonw/ojdcheck/tree/0.1

egonw pushed to master at egonw/ojdcheck Sat Nov 07 01:41:19 -0800 2009

HEAD is a2223f79baaa50ce7b786a0b2b92358217b0a9fa

egonw committed a2223f79:

Added test for missing @param tags