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CDK Molecules in RDF
Yesterday, I finally got around to starting a branch on adding RDF support to the CDK; in particular, write the CDK data model ontology in OWL and serialization to and from RDF using the ontology. The framework is now set up, but I have yet to formalize all bits and pieces of the CDK data model in classes and properties. Just as a preview, here is what a very basic bit of CDK model in RDF looks like (N3 format): -
Google Wave Invite: but you need to work on the CDK and the CDKitty robot
I just posted to below email to the cdk-user mailing list. Next Monday, I’ll decide. -
Processing the ChEBI MDL SD file with the CDK
Bioclipse has a bug report about browsing the ChEBI SD file in its moltable editor. Some entries make Bioclipse crash (as reported), or just very sluggish as with my Dell superlapcomputer :) -
Extension point for running JUnit tests in a RCP Application instance?
One thing that has been on my wishlist is to be able to run the unit tests we have for Bioclipse from inside a running Bioclipse instance. That is, we have a Bioclipse Test Suite features on the update site, matching the functional features we have there. Each such test suite would run all JUnit tests we have for that feature. -
JChemPaint update: merging of patches and CDK statistics
With the JChemPaint workshop just passed, there is much work from UU and the EBI to be integrated. Moreover, Rajarshi just merged a lot of fixes from CDK 1.2.x into the master branch, which will be a big rebase too. That said, I need to do this to recalculate source code statistics for the CDK. -
Really free chemistry books
With pleasure I read Analogue or Digital? - Both, Please. Funnily, I just created MP3 (or, preferably Ogg Vorbis, superior but hardly any support by commercial companies, who rather seem to pay license fees) directly from the CD.
