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From: Egon W. <ego...@gm...> - 2014-04-27 19:01:57
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On Sun, Apr 27, 2014 at 8:03 PM, John May <jo...@eb...> wrote: > Currently I have: Kekulize.assign(mol); I know, silly question... but, how good is it? That is, if it is really, really good, and realizing it is probably the same code base as used in [0] (?) so it is, then it should simply replace the other tools... Egon 0.http://efficientbits.blogspot.nl/2014/02/animated-algorithm-canonical-tautomer.html -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 |