Hi, RDkit. I'm looking for a way to change cis-trans for a molecule at the diimide part. There was a case for the Alkene E-Z change.
https://sourceforge.net/p/rdkit/mailman/message/35011276/ But when I apply above method, it doesn't work for the diimide case. For examples, let say Mymol be made from azobenzene: c1ccc(N=Nc2ccccc2)cc1 I wrote down the procedure: 1. Detect substructure of N=N part by GetSubstructMatch 2. And then apply ENDDOWNRIGHT and ENDUPRIGHT for each atomIdx but the result is same for the original one. Thanks all!
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
