From: Egon W. <ego...@gm...> - 2010-07-22 06:46:00
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On Thu, Jul 22, 2010 at 1:09 AM, Rajarshi Guha <raj...@gm...> wrote: >> BTW, there are still a few patches for CDK 1.2.x, with one new one >> since my last request, fixing SD properties reading... if you could >> find a bit of time... > > Done There are still a few more patches I would like to release with 1.2.6: 3030167 Addition of a missing atom type: N.oxide (I replied to your comment) 3030166 Two atom type unit tests for SMILES from cdk-devel ML 2982677 Exception when IAtomContainer.clone() with IBond with 0 Atom The following we should take to the mailing list, I guess... 3018684 Add a constant to indicate library version Please check my comments, and see how I can make my patch acceptable for you... would it help if I added more functionality to the CDK class? Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers |