Dear RDkitters, I am playing around with the assignstereochemistry function and I am getting confused. If I change the numbering of the atoms but not their coordinates (for example switch to canonical numbering) I get a different answer. In fact it only seems to work right when I switch to canonical numbering with openbabel.
What rules does the function follow? Is there any role played by the numbering of atoms? Do they have to be numbered in any special way for example the groups need to follow each other when assigning CIP priority? Thanks _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
