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 = mol.GetBonds()
for b in bonds:
print b.GetStereo()
gives me the following output...
STEREONONE
STEREONONE
STEREONONE
...whereas I would like something like this :
STEREONONE
STEREOANY
STEREONONE
Thank you for your help!
Cheers,
Jose Manuel Gally
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