Hi, I'm working on adding support for tautomers to openbabel. There is now an initial commit in trunk with an algorithm to enumerate tautomers and to find the canonical tautomer. This is based on Roger Sayle's algorithm: http://www.daylight.com/meetings/emug99/Delany/taut_html/index.htm
There is a unit test but I still have to do large scale testing and add more features (e.g. support for keto/enol tautomers) Tim ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
