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Cleaner CDK Code #1: List<IAtom> and the for-each loop
In a desperate attempt to force me to write on my CDK code snippet book, I’m going to write some code tips to create clear code. Hopefully, this is useful for people writing patches and reviewers alike, too.
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OOChemistry 0.1 released: call for participation
Konstantin released OOChemistry 0.1 and sent this email to the cdk-jchempaint mailing list (I added a few links and an extra newline):
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CDK 1.3.3: the changes
The CDK 1.3.3 release does not contain overly many patches, but contains a few interesting ones:
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RDF, Jena, Bioclipse, Eclipse, Zest #2: icons and an extension point
Jonathan worked this week on new features for the Bioclipse RDF editor (see these two earlier items). This version still does not edit, but only display using Zest. Jonathan created for me an extension point so that anyone can make the editor aware of domain objects, by simply registering the extension implementation along with the rdf:Class URI of the rdf:type of an object. This fixes the problem of having to hardcode dependencies of the RDF editor on all the domain code, as was the case earlier.
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Dutch contribution to the Crystallography Open Database at risk?
The Dutch company PANalytical has made their HighScore software available (some details in this README) for use in the Crystallography Open Database.
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Further statistics on the papers citing the CDK
I already gave a wordle of the titles of papers citing the first CDK paper. Below follows some additional statistics: the number of papers that use a particular CDK package (51). Now, this numbers are a bit rough, and surely any paper that uses the CDK is bound to use the IO or SMILES package too. Additionally, for 10 papers I was not sure what CDK functionality they used, so I assigned those to the root package.
