I think it's the other way around while SMARTS are SMILES one can treat
them as such but since SMARTS are more specific and contain information
more detailed, one cannot treat SMILES (canonical or not) as SMARTS.
Pybel/openbabel seems to agree with me as i get this error message with
SMILES but not with SMARTS:
*** Open Babel Error in SMARTSError
SMARTS Error:
[Cl-].CCCN(CCC)C1CC1c1cc(F)ccc1O
2012/3/18 Geoff Hutchison <ge...@geoffhutchison.net>
> > 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
