Hello Vinay,
In your pattern you have a "{" - is this an error? For some useful
functional groups SMARTS strings, please see the file SMARTS_InteLigand.txt
in the openbabel distribution, or online at
http://openbabel.svn.sourceforge.net/viewvc/openbabel/openbabel/trunk/data/SMARTS_InteLigand.txt?view=markup
Regards,
Noel
2009/10/26 Vinay M <vi...@ymail.com>
> Hi everyone,
> Could you please help me to use obgrep to eliminate
> amines. I am unable to use obgrep since its not recognizing the parenthesis,
> for example I Primary alpha amine
> [NX3H2+0,NX4H3+;$([N]{!C])] Obgrep doesn't work for this pattern.
> Could someone help me with this.
> Thanks a lot
>
> With Warm Regards
> Vinay
>
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