>Meh. Generate a SMILES for your fragment. Since all SMILES are valid SMARTS, if it's a sub-structure, the >SMARTS will match the molecule.
I agree, however the problem i'm having is not matching them but modifying the molecule... -- View this message in context: http://forums.openbabel.org/Sub-strucure-search-tp3819197p3819284.html Sent from the openbabel-devel mailing list archive at Nabble.com. ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA http://p.sf.net/sfu/rim-devcon-copy2 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
