> Thanks for your reply, i was using smiles to view the > structure, so few are in smarts. I just wanted to convert smiles to smarts > and smarts to smiles.
SMILES is a subset of SMARTS, so any SMILES string can be used as a SMARTS. The reverse is not true. I can design many SMARTS, which are not valid SMILES. For example [*] matches any atom. So no, as Craig said, you cannot interconvert them. -Geoff ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
