Dear Evgueni, On Tue, Dec 1, 2009 at 10:21 AM, Evgueni Kolossov <ekolos...@gmail.com> wrote: > > I have enclosed 2 files - images for structure and fragment. When using > unsigned int SubstructMatch() I am getting value = 17!!! Looking like > function is not taking in account atom types and flag uniquify is not > working at all - or may be I am missing something? Can you please comment on > this behaviour?
I guess I don't really see anything particularly unusual. Have you tried looking at the values you get for the matches? Is there a particular result you see that doesn't make sense? -greg ------------------------------------------------------------------------------ Join us December 9, 2009 for the Red Hat Virtual Experience, a free event focused on virtualization and cloud computing. Attend in-depth sessions from your desk. Your couch. Anywhere. http://p.sf.net/sfu/redhat-sfdev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
