On Thu, 6 Jun 2019 11:16:49 +0200 Greg Landrum <greg.land...@gmail.com> wrote:
> The order is definitely not the simple numerical order. Look at the results > that I sent again. Ok I see it now, C(5) CHI_TETRAHEDRAL_CW: 4 6 0 is not numerical order :) Ok, now I understand this. Thx RafaĆ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss