Yes, Greg,
I believe that result 17 matches for this fragment does not make any sense
2009/12/1 Greg Landrum <greg.land...@gmail.com>
> 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
>
--
Dr. Evgueni Kolossov (PhD)
ekolos...@gmail.com
Tel. +44(0)1628 627168
Mob. +44(0)7812070446
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