[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 |