Hello RDKit community:I am trying to change an atom which is unAtomatic in a
Smarts to an Atomatic one??so, I used the code bellow, but the atom is not
changed. ??rdkit.__version__=2020.09.1??
>> from rdkit import Chem
>> smart1_mol = Chem.MolFromSmarts("[#6]-Cl")
>> smart1_mol.GetAtomWithIdx(0).GetIsAromatic()
False
>> atom = smart1_mol.GetAtomWithIdx(0)
>> atom.SetIsAromatic(True)
>> atom.GetIsAromatic()
True
>> smart1_mol.GetAtomWithIdx(0).GetIsAromatic()
True
>> Chem.MolToSmarts(smart1_mol)
'[#6]-Cl'
What shoule I do with this problem.
Thanks a lot.
Shaozhen
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