Mesomerize inverts remote stereocenters

User 81a38f9467

14-02-2011 22:29:08

I am using the standalone Standarizer version 5.4.0.1.


The Mesomerize function in the Standardizer sometimes alters remote stereocenters.  This, of course, should never happen.  In the examples shown below, I have also used Clean2D(full) and Wedge Clean to make the results look better, but the stereochemical scrambling was attributable to the Mesomerize function.


Note that the stereochemistry of the carboxylate on the penicillin ring also gets inverted.

User 851ac690a0

18-02-2011 23:43:38

Hi,


Yes, I've found bugs even in the clean2D as well.


We will fix these bugs asap.


Thank you indeed.


Jozsi