> I am currently trying to generate SMARTS Patterns from an 'mol' or 'sdf' file > using pybel. So far I haven't been able to succeed. > Is it possible to convert Canonical-SMILES (which is possible) into SMARTS? > Or can I use Canonical-SMILES with the pybel.smarts() module? > I look forward to your answer.
A SMILES string (canonical or not) is a SMARTS. What seems to be your specific problem or error? Best regards, -Geoff ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
