Hi all,
I wonder if someone would so kind as to explain very briefly the concept of
Bookmarks in the ROMol class. I am hoping this is something I can use to
identify the location of substructure after a SubstructMatch, but maybe I'm
completely off piste!
Many thanks,
George.
Hi George,
On Fri, Jul 24, 2009 at 5:11 PM, George Oakmanoakm...@hotmail.com wrote:
I wonder if someone would so kind as to explain very briefly the concept of
Bookmarks in the ROMol class. I am hoping this is something I can use to
identify the location of substructure after a
Hi Greg,
That sounds pretty straightforward - thanks a lot for that.
If I wanted to bookmark atoms that match a particular substructure, how would I
go about it? SubstructMatch returns the number of matches for a given
substructure, but how can I extract information about the location
3 matches
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