Hi, is it possible with openbabel to classify a molecule based on substructures?
E.g.: 110-dichlorodecane.sdf alkyl chloride 11122334455666-tetradecafluorohexane.sdf alkyl fluoride 111-trimethoxyethane.sdf orthocarboxylic acid derivative orthoester 13-dibromobenzene.sdf aryl bromide aromatic compound -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. sp...@xray.bmc.uu.se http://folding.bmc.uu.se ------------------------------------------------------------------------------ LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial Remotely access PCs and mobile devices and provide instant support Improve your efficiency, and focus on delivering more value-add services Discover what IT Professionals Know. Rescue delivers http://p.sf.net/sfu/logmein_12329d2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
