[Rdkit-discuss] Why this doesn't work? HasStructMatch function
Open-Source Cheminformatics and Machine Learning
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From: Li, X. [xiaoboli] <Xia...@li...> - 2019-02-19 22:41:30
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Dear all,
Why the output is False?
m=Chem.MolFromSmiles('CN(C(C=CC=C1)=C1C2=O)C3=C2C=CC=C3')
s=Chem.MolFromSmarts('c1ccccc1-[#6](-c2ccccc2)=[#8]')
m.HasSubstructMatch(s)
Output: False
m
[cid:1e64324f-5acf-4b7c-b63b-01f3ae37dda2]
s
[cid:92a44d14-c69b-4e88-b5ae-2cde6e1533db]
Best regards,
Xiaobo Li
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