[Rdkit-discuss] valence problem
Open-Source Cheminformatics and Machine Learning
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From: Adrian J. <jas...@gm...> - 2014-07-10 10:42:23
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Hi all
I have a problem with generating molecule from smiles.
from rdkit import Chem
template = Chem.MolFromSmiles('F[P-](F)(F)(F)(F)F.CN(C)C(F)=[N+](C)C')
I got an error:
Explicit valence for atom # 1 P, 7, is greater than permitted
But the SMILES for this structure should be valid.
I checked many web services and the structure is always the same
the CAS number for this structure is 164298-23-1
Can I skip checking the valence during generating mol from smiles?
regards
Adrian
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