Dear Jan,
I don't think you are doing anything wrong. I tried using coordMap
myself a few weeks ago and it looked like the parameter was being
ignored. I'll try and understand why that happens as soon as I have a
bit of time.
Kind regards,
Paolo
On 11/28/17 10:16, Jan Halborg Jensen wrote:
The following code should produce 5 conformers of c1c1CCC” where the
coordinates of the benzene ring is the same. But it doesn’t. What I am doing
wrong?
Best regards, Jan
from rdkit import Chem
from rdkit.Chem import AllChem
template_smiles = "c1c1"
template = Chem.MolFromSmiles
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