On Fri, Feb 1, 2013 at 12:16 PM, JP <[email protected]> wrote: > > > Thanks for the UpdatePropertyCache hint, I should know better after 2.5 > years of using this toolkit. > > Are you sure about the workaround you suggest above? > > m = Chem.MolFromSmiles('CCN') > for a in m.GetAtoms(): > a.SetProp("dummyLabel", "R" + str(a.GetIdx())) > Draw.MolToFile(m, 'test.png', kekulize=False) > > Still does not show me the dummy labels ... (using RDKit 2012 12 1)
It's not working for you because C and N are not dummy atoms. The "dummyLabel" property is only used for atoms with atom number zero. -greg ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_jan _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
