Hi,
I'm not 100% sure what you're asking for.
If you are looking for double bond stereochemistry, you can do something
like this:
In [9]: mol = Chem.MolFromSmiles('F/C=C/C=CF')
In [10]: for b in mol.GetBonds():
if b.GetBondType()==Chem.BondType.DOUBLE:
print b.GetIdx(),b.GetStereo()
Dear rdkitters,
I was wondering if someone knew a way of detecting unassigned stereobonds?
I looked for something similar to FindMolChiralCenters(mol,
includeUnassigned=True), but couldn't find anything.
For example this snippet :
from rdkit import Chem
mol = Chem.MolFromSmiles('FC=CF')
bonds
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