On Tue, Jun 11, 2013 at 2:34 AM, Pascal Muller
<pascal.jm.mul...@gmail.com>wrote:
> Dear all,
>
> Usually, I use obgrep (Open Babel 2.3.2) with smiles files, but today I
> tried with an sdf - and it doesn't work. There is no match, and no error
> message (e.g.
> obgrep 'C' methane.sdf
> gives no output, as if there were no match. Tried with and without H in
> the sdf).
>
Forgive me if this is too simple, but are sure there are aliphatic carbons
in your SDF? The SMARTS "C" won't match aromatic carbon atoms.
If that's not the case, then maybe you could attach your SDF. Otherwise,
we're just guessing.
Craig
>
> With smiles format, obgrep works perfectly.
>
> Any idea what could happening?
>
> Thanks,
> Best regards,
> Pascal
>
>
>
>
>
>
> ------------------------------------------------------------------------------
> This SF.net email is sponsored by Windows:
>
> Build for Windows Store.
>
> http://p.sf.net/sfu/windows-dev2dev
> _______________________________________________
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>
>
------------------------------------------------------------------------------
This SF.net email is sponsored by Windows:
Build for Windows Store.
http://p.sf.net/sfu/windows-dev2dev
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
