Dear Greg

COc1ccc(cc1)\C=C1\[S]=C(Nc2ccc(cc2)S(N)(=O)=O)NC1=O
Traceback (most recent call last):
  File "3mon3D.py", line 86, in <module>
    sdf3D = Chem.MolToMolBlock(molH)
ValueError: Sanitization error: Can't kekulize mol

Is this error solved with the new svn version

Thanks
Best Regards

Christian de Bouillé


------------------------------------------------------------------------------
ThinkGeek and WIRED's GeekDad team up for the Ultimate 
GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the 
lucky parental unit.  See the prize list and enter to win: 
http://p.sf.net/sfu/thinkgeek-promo
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to