Dear Adrian Schreyer Dear Niklaus Stiefl Thank you for your comments
The smiles are defined by JChem from Chemaxon when you upload the table from sdf I do not know how to change them I was thinking RDKIT could standardize the molecules either from sdf or from smiles ? But howto do ? Thank you for your help Bouille ------------------------------------------------------------------------------ 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 _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
