Hi, We are trying to isolate a negatively charged element from a molecule. For example if you have a reactant NaI, we want to get just I from the smiles string [Na+].[I-]. We are wondering if there is a way to get [I-] from this smiles string. Is there a function that can search for a negatively charged part of a molecule, or do you have any suggestions for creating one?
Thanks! Libby ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
