Re: [Rdkit-discuss] Fwd: Possible stereo centers incorrectly assigned?

2015-09-08 Thread Michał Nowotka
Thank you all for your helpful answers. I will update Beaker code, deploy it tomorrow and see if someone comes up with another example but like Curt I think that the modification suggested by John should work well. Thanks again! Michał On Tue, Sep 8, 2015 at 4:38 PM, Curt Fischer

[Rdkit-discuss] Fwd: Possible stereo centers incorrectly assigned?

2015-09-08 Thread Curt Fischer
Hi John, Michal, and everyone, I've been following this discussion with interest and wrote a code snippet to test out John M.'s idea to access the '_CIPCode' property of atoms. The results of doing are opposite to the result of the original getStereoInfo() function, and thus are in accord with