I’m collecting some thoughts for my CDK workshop kick-off talk on Monday and I guess I’ll go for the boring regular version, with an introduction to CDK history, followed by some statistical figures and ending with an explanation of the format for the developers workshop on Tuesday afternoon. As anyone can read on our CDK [...]
Entries Tagged as 'Chemistry Development Kit'
CDK Workshop 2009 kick-off talk
April 20th, 2009 · 2 Comments · Blue Obelisk, Chemistry Development Kit, Chemoinformatics, Conferences and Meetings, Databases, Fun, Life of Chris, Open Science, Open Source, People, Scientific Culture, Teaching
Tags: CDK·Cheminformatics·Open Source
CDK Workshop at EBI on April 20/21
February 17th, 2009 · 1 Comment · Blue Obelisk, Chemistry Development Kit, Conferences and Meetings, Fun, Life of Chris, Open Science, Open Source, People, Teaching
The CDK team is glad to announce the Spring 2009 CDK workshop held at the European Bioinformatics Institute (EBI). More than two years have passed since the last CDK workshop in Cologne and we hope to have these great events more regularly again. We are glad that the EBI Industry Program as well as the [...]
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Creating and Reviewing Patches in the Chemistry Development Kit (CDK)
September 1st, 2008 · 3 Comments · Chemistry Development Kit, Life of Chris, Open Source, Open Standards, Scientific Culture
In order to prevent major turbulences in the main source code development line of the Chemistry Development Kit (CDK), we decided a while ago to have separate branches in our subversion source code management system for each developer and each of his subprojects. Once a project has been finalized by a developer in her branch, [...]
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Linus on GIT on Google TechTalks
August 26th, 2008 · 8 Comments · Blue Obelisk, Chemistry Development Kit, Informatics, Open Standards, Publishing, Scientific Culture
I’m a big fan of Google TechTalks and watch a lot of them during flights. This week I enjoyed the recording of Linus Torvalds insulting all kinds of people including the whole SVN develoment team while introducing his distributed source code management system GIT. Egon had pointed me to GIT quite a while ago but [...]
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There is still need for an open source structure editor applet …
May 21st, 2008 · 1 Comment · Blue Obelisk, Chemistry Development Kit, Chemoinformatics, Databases, Open Science, Open Source
… with a reasonably small footprint … and we’ll soon have one that is actually usable. Well, with the JChemPaint applet, as used in NMRShiftDB, we do have an open source structure drawing applet available but we (as in “the makers”) have to admit that it still has a pretty big foot print. If you [...]
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PAC on Graphical Representation Standards for Chemical Structure Diagrams
March 17th, 2008 · No Comments · Blue Obelisk, Chemistry Development Kit, Chemoinformatics, IUPAC CPEP, Open Standards
The February issue (V80, No 2, P 277-410) of IUPAC’s Pure and Applied Chemistry Journal has a 133 pages of IUPAC recommendations for the Graphical Representation Standards for Chemical Structure Diagrams. In the Blue Obelisk context, this material is both valuable for the development of our structure representation and editing tools (JChemPaint, JCPViewer) as well [...]
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