Me: > Perhaps you want Chem.MolFragmentToSmiles(mol, atomsToUse=idxs)? > > http://www.rdkit.org/docs-beta/api/rdkit.Chem.rdmolfiles-module.html#MolFragmentToSmiles
Err, umm, *blush*. Forgot which list I was reading. [Andrew! It says it right in the subject line! :] Andrew da...@dalkescientific.com ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss