Does this AllChem.UFFOptimizeMolecule(mol_h) optimize all the conformers present in mol_h ?
The documentation is vague: http://www.rdkit.org/Python_Docs/rdkit.Chem.AllChem-module.html#UFFOptimizeMolecule Thanks JP ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
