On the plus side, when drawing PubChem CID 5057 from a 3D SDF before and
after our canonicalization, RDKit draws a mirror image, but otherwise
the same 2D structure. OB's "after" version is attached: enjoy the
7-bond carbon in the ring.

;)
-- 
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu

Attachment: signature.asc
Description: OpenPGP digital signature

------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to