Naively, I would also say that if a 4-bonded carbon has substituents with 4 different Morgan numbers, it could be considered a stereo center.
Cheers, Chris Egon Willighagen wrote: > On Tue, Apr 7, 2009 at 11:50 AM, Stefan Kuhn <stefan.k...@ebi.ac.uk> wrote: >> If you mean potential stereocentres in a molecule without stereo >> specification >> (ie. without wedges): No, this is an open issue. > > Stefan, did you have a look at the patch by Todd Martin on symmetry? > Would that do the job? > > Mmm... cannot find it in the Patch tracker... > > Egon > -- Dr. Christoph Steinbeck Head of Chemoinformatics and Metabolism European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2640 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. ------------------------------------------------------------------------------ This SF.net email is sponsored by: High Quality Requirements in a Collaborative Environment. Download a free trial of Rational Requirements Composer Now! http://p.sf.net/sfu/www-ibm-com _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
