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)

- 4
- 7
cdk

The Chemistry Development Kit

Last updated Sat Nov 07 08:39:57 -0800 2009
- 2
- 2
ojdcheck

OpenJavaDocCheck

Last updated Sat Nov 07 02:12:31 -0800 2009
- 5
- 5
bioclipse.cheminformatics

Bioclipse2 Cheminformatics.

Last updated Fri Nov 06 07:55:16 -0800 2009
- 2
- 2
bioclipse.social

Bioclipse Social - Linking Bioclipse to the Social Web.

Last updated Thu Nov 05 04:24:04 -0800 2009
- 4
- 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
- 0
- 1
nmrshiftdb-rdf

RDF interface to the NMRShiftDB data.

Last updated Tue Nov 03 01:52:14 -0800 2009
- 1
- 2
blueobelisk.userscript

Blue Obelisk Userscripts

Last updated Sun Nov 01 01:49:07 -0800 2009
- 4
- 1
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
- 0
- 1
egonw.github.com

Private Homepage

Last updated Sat Oct 17 11:41:02 -0700 2009
- 4
- 9
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
- 4
- 1
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
- 1
- 5
bioclipse.sdk

Bioclipse Software Development Toolkit

Last updated Wed Sep 23 23:46:08 -0700 2009
- 2
- 1
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
- 2
- 1
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
- 1
- 4
CDKitty

The Chemistry Development Kit Google Wave Robot

Last updated Thu Sep 03 07:30:23 -0700 2009
- 3
- 1
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
- 2
- 4
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
- 3
- 1
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
- 2
- 1
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
- 2
- 1
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
- 2
- 1
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
- 2
- 1
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
- 0
- 1
rednael

IRC bot that propagates Git commit messages.

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

PubChem from a CDK perspective.

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

Tools for rdf.openmolecule.net

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

Git-based ToDo tool.

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

Java library to extract data from the Nature Chemistry journal.

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

XWS Plugin for Taverna

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

egonw pushed to master at egonw/ojdcheck Sat Nov 07 01:18:04 -0800 2009

HEAD is 9f774377e105cc810311de4662d2b1880054c48f

egonw committed 9f774377:

Removed unused imports

egonw pushed to master at egonw/ojdcheck Sat Nov 07 01:15:45 -0800 2009

HEAD is 845b0b9f3899e69994579ff69f935df44e8c2494

egonw committed 845b0b9f:

Removed test classes

egonw pushed to master at egonw/ojdcheck Sat Nov 07 01:03:48 -0800 2009

HEAD is 2dd279c82850b31bccaa79885a3d41d84a5db26c

egonw committed 2dd279c8:

Moved tests into subfolders, to organize them a bit

egonw pushed to master at egonw/ojdcheck Fri Nov 06 15:21:41 -0800 2009

HEAD is 72244f4129871644fe19f44883619ff3a2976619

3 commits »

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Fri Nov 06 07:55:16 -0800 2009

HEAD is 60726a102a4400e2cddfae71c0eddb1af8f9822e

2 commits »

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Fri Nov 06 03:01:54 -0800 2009

HEAD is 57fc38faba605c6d0ef03e185d41fe5128e9cb8d

Arvid Berg committed 57fc38fa:

Fixes dirty on Molecules editor

egonw pushed to master at egonw/bioclipse.cheminformatics Thu Nov 05 10:29:53 -0800 2009

HEAD is fc08a407c8283f4bafacee6c7f279047a46e1da2

12 commits »

egonw committed fc08a407:

Trigger a refresh so that the new arrivals show up in the table (fixes #1718)
jonalv committed 562f0c95:

Only rebuild outline model on load append.
Ola Spjuth committed b87c984c:

Adapted menus for comparison and superimpose.
Ola Spjuth committed 300bca79:

Added a submenu "Compare" for cheminformatics.
jonalv committed 99f327ef:

added labels to calculateRMSD
jonalv committed 898967ff:

fixed generics
jonalv committed bcf93e6e:

layout
egonw committed 7b03ed5e:

Added labels to the tanimoto CSV output (addresses #1715)
egonw committed b081849e:

Force opening in the Jmol editor, which is currently part of the Bioclipse Platform feature anyway (fixes #1716)
egonw committed 1183a224:

Removed output to STDOUT (fixes #1712)
egonw committed 5cbbd2c4:

Restrict this handler to 2 resources, and remove the wizard for which we have the Tanimoto Matrix handler (fixes #1711)
egonw committed 98d74ca5:

PDB is not yet supported (fixes #1713)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 08:56:09 -0800 2009

HEAD is fc08a407c8283f4bafacee6c7f279047a46e1da2

egonw committed fc08a407:

Trigger a refresh so that the new arrivals show up in the table (fixes #1718)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 07:59:27 -0800 2009

HEAD is 562f0c953042270d89601da8a9c693ac0c440f39

jonalv committed 562f0c95:

Only rebuild outline model on load append.

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 07:51:23 -0800 2009

HEAD is b87c984cc4dcbd2fdad26b7b49f012f34fb425df

2 commits »

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 07:48:08 -0800 2009

HEAD is 99f327ef35046db56896e9e42bebb3790e2c1b28

3 commits »

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 06:08:37 -0800 2009

HEAD is 7b03ed5e9d883e3200d8af79ace70bcd861aece9

egonw committed 7b03ed5e:

Added labels to the tanimoto CSV output (addresses #1715)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 05:40:25 -0800 2009

HEAD is b081849e809fcbff33a9dc8feed29790d90a3f3e

egonw committed b081849e:

Force opening in the Jmol editor, which is currently part of the Bioclipse Platform feature anyway (fixes #1716)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 05:37:27 -0800 2009

HEAD is 1183a224918299d6755bfc040ec18310b36405ea

egonw committed 1183a224:

Removed output to STDOUT (fixes #1712)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 05:30:10 -0800 2009

HEAD is 5cbbd2c4d25a24daefc8bfade980f676dd62fec5

egonw committed 5cbbd2c4:

Restrict this handler to 2 resources, and remove the wizard for which we have the Tanimoto Matrix handler (fixes #1711)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Thu Nov 05 05:18:19 -0800 2009

HEAD is 98d74ca594bf474322c08609b2cd60b69767c260

egonw committed 98d74ca5:

PDB is not yet supported (fixes #1713)

egonw pushed to master at egonw/bioclipse.social Thu Nov 05 04:24:05 -0800 2009

HEAD is 219f97de91b6cc6b8cd695b7fe409859c9205d71

6 commits »

egonw pushed to master at egonw/bioclipse.rdf Thu Nov 05 04:22:52 -0800 2009

HEAD is c9b844329359bcb937184d069a06db869fe67d53

3 commits »

egonw pushed to master at egonw/bioclipse.joelib Thu Nov 05 04:22:28 -0800 2009

HEAD is 519f288992e8f028226f0a155b544cce44e61a27

egonw committed 519f2889:

Bumped version to 2.2.0.RC1 for the upcoming release candidate

egonw pushed to master at egonw/bioclipse.cheminformatics Thu Nov 05 04:22:04 -0800 2009

HEAD is 50f51b62c66f2a8709aafcd2d27e30bcc4942703

71 commits »

Ola Spjuth committed 3ce78ba5:

Added support for SmartsMatching on MolTable.
egonw committed b0a8e73a:

Added a method to determine the MCSS for a List<IMolecule>; see http://www.myexperiment.org/workflows/934
egonw committed 967ea45e:

Fixed method to work with ICDKMolecule contains an IAtomContainer instead of an IMolecule
egonw committed 52c927ea:

Added testing for the JChemPaint managers
egonw committed ad21fdc6:

Added InChI- and ValidateCMLManager testing
egonw committed 36c26142:

Added the PubChem test suites to the feature testing
egonw committed 9121ca8a:

Fixed class names: PubChemTest, not InChITest
egonw committed fc34f6e8:

Added tests for all the plugins in this feature (at least, in the future; now only the CDK tests included)
egonw committed 8b1ceb24:

Added missing dependency, which 3.5 started to have problems with, but 3.4 was OK with
Arvid Berg committed 41937d99:

Added context menu for JCP outline
Arvid Berg committed 1f808a6e:

Added transparency for hover highlgiht
Arvid Berg committed 96482844:

Added support for colors with alpha.
Arvid Berg committed 246f2445:

Added rotate option to toolbar
Arvid Berg committed f409cd0b:

Removed trailing whitespace
Arvid Berg committed b81bebf5:

ToolTip now returns null when no text should be displayed
Arvid Berg committed f7a17b9e:

Added MergeAtomsGenerator to generators
Arvid Berg committed 1cdb35b0:

Added support for GeneralPath
egonw committed fe3a1c2e:

Fixed reading of properties
Arvid Berg committed d035ed33:

Added null check to avoid NPE when no model is present
egonw committed a4fcb1e9:

Pushed in a new CDK 1.3.0.+ version plus updated JChemPaint-Primary: 0bioclipse5

And 51 more commits...

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Wed Nov 04 07:09:42 -0800 2009

HEAD is 50f51b62c66f2a8709aafcd2d27e30bcc4942703

3 commits »

egonw pushed to 2.2.x at egonw/bioclipse.joelib Wed Nov 04 03:51:18 -0800 2009

HEAD is 519f288992e8f028226f0a155b544cce44e61a27

egonw committed 519f2889:

Bumped version to 2.2.0.RC1 for the upcoming release candidate

egonw pushed to 2.2.x at egonw/bioclipse.rdf Wed Nov 04 03:50:35 -0800 2009

HEAD is c9b844329359bcb937184d069a06db869fe67d53

egonw committed c9b84432:

Bumped version to 2.2.0.RC1 for the upcoming release candidate

egonw pushed to 2.2.x at egonw/bioclipse.social Wed Nov 04 03:49:28 -0800 2009

HEAD is 219f97de91b6cc6b8cd695b7fe409859c9205d71

2 commits »

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Wed Nov 04 03:48:30 -0800 2009

HEAD is f81ce34dd715cfafaf5f2db86ae185b50d518f03

egonw committed f81ce34d:

Bumped version to 2.2.0.RC1 for the upcoming release candidate

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Wed Nov 04 03:45:06 -0800 2009

HEAD is b532bf3193dd6401654d9ef1b6d3e52a41913b11

egonw committed b532bf31:

Added GUI action for doing an Kabsch alignment (fixes #1665).

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Wed Nov 04 00:31:38 -0800 2009

HEAD is 67657394359a4197c72f6fb5e488f2f6bd9e653a

egonw committed 67657394:

Added GUI action for calculating the RMSD distance matrix which opens in a separate editor (fixes #1664)

egonw pushed to 2.2.x at egonw/bioclipse.cheminformatics Tue Nov 03 07:08:08 -0800 2009

HEAD is 89a8ad428b06fa6e7dffcd08fd752914c1014477

egonw committed 89a8ad42:

Added GUI action for calculating the Tanimoto Similarity Matrix which opens in a separate editor (fixes #1663)

egonw pushed to master at egonw/nmrshiftdb-rdf Tue Nov 03 01:52:15 -0800 2009

HEAD is 2981a06803bed49320fb126105269d354c2807b8

2 commits »