Thanks a lot!
*Syeda Sabrina*
*Graduate Assistant*
*Department of Chemical Engineering, Penn State University*
*University Park, PA*
*
*
On Tue, Jun 18, 2013 at 11:29 AM, JP jeanpaul.ebe...@inhibox.com wrote:
Can you post some of the molecules generating the precondition violation
error?
Dearest RDKitters,
I am trying to help a friend of mine, with an RDKit issue (using the latest
RDKit) and I am surprised by some output we are getting. Perhaps someone
here has an explanation.
import rdkit
from rdkit import Chem
from rdkit.Chem import AllChem
core =
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