On Mon, 17 Dec 2018 14:23:32 +0100 JEAN-MARC NUZILLARD <jm.nuzill...@univ-reims.fr> wrote: ... > returns DIFFERENT. > > Removing the EmbedMolecule step returns EQUAL. > > How could I change that?
You could try generating multiple conformers instead and checking if one of them returns EQUAL. -- Dmitri Maziuk <dmaz...@bmrb.wisc.edu> _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
