Dear Greg Happy New Year
Dealing with various smiles in a library, some smile has a wrong number of valence as N for this one ClCC(=O)NC1=C(NN=[N]1Cc2ccccc2)C(=O)NCc3ccccc3 Testing in a loop "try and except" or "mol is None" I did not find howto raise the exception in the loop. Do you have a function that checks if the valences are correct ? best Regards Bouille ------------------------------------------------------------------------------ This SF.Net email is sponsored by the Verizon Developer Community Take advantage of Verizon's best-in-class app development support A streamlined, 14 day to market process makes app distribution fast and easy Join now and get one step closer to millions of Verizon customers http://p.sf.net/sfu/verizon-dev2dev _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
