It would be useful to show the molecules you expect to be matched and
those which you expect not to be matched. But I suppose that you want to
distinguish the molecules whose SMILES are c1c1N and c1c1N(C)C .
The SMARTS c1c1N matches both these molecules but c1c1[NH2] or
c1c1
Dear member,
Could someone please give me some advices about this problem?
Thanks.
Shang
From: shanghq...@hotmail.com
Date: 2013-01-05 09:45
To: Craig James; openbabel-discuss
CC: yuecaili
Subject: Re: [Open Babel] substructure search problem
Hi All,
Thanks for Craig's quick response.
I want
