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MCS deprecation in constrained_conf_gen.py #13

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tdudgeon opened this issue Oct 6, 2017 · 1 comment
Open

MCS deprecation in constrained_conf_gen.py #13

tdudgeon opened this issue Oct 6, 2017 · 1 comment
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tdudgeon commented Oct 6, 2017

src/python/pipelines/rdkit/constrained_conf_gen.py:21: DeprecationWarning: The rdkit.Chem.MCS module is deprecated; please use rdkit.Chem.rdFMCS instead.
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abradle commented Oct 6, 2017

Thanks Tim - will look into this!

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