Re: [Rdkit-discuss] Stereo information lost

Thanks! It works great! > El 13 dic 2017, a las 12:15, Paolo Tosco escribió: > > Hi Marina, > > If you wish to assign stereochemistry from the atom block parity flag rather > than from 3D coordinates you might try the following: > > #include > #include > #include >

Re: [Rdkit-discuss] SanitizeMol changing drawing

Greg, That really helps! The CIP rank property is the key I was looking for. Now I can put in a check for to see if the property is defined before calling prepareMolForDrawing, and if it isn't then call assignAtomCIPRanks first. I was having issues where molecules created from a SMILES would not