On Oct 4, 2010, at 5:15 PM, Craig A. James wrote: > Something has gone badly wrong with the canonicalizer -- these are awful > SMILES. The earlier version had rules that made for "nice looking" SMILES. > These are a mess. I realize that the whole canonicalizer was rewritten for > good reason, but we've now lost critical functionality.
Do you think you can grab a list of some of the "nice looking" SMILES? -Geoff ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
