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[WIP] Add a warning to Topology.from_pdb if the stereo of the molecule in the PDB is different from the substructure template or unique mol #1583

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[WIP] Add a warning to Topology.from_pdb if the stereo of the molecule in the PDB is different from the substructure template or unique mol #1583

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Commits on Apr 17, 2023

  1. first steps toward implementing a warning

    @j-wags
    j-wags committed Apr 17, 2023
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
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    pre-commit-ci[bot] committed Apr 17, 2023
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Commits on Apr 21, 2023

  1. update with progress, add big TODO with findings

    @j-wags
    j-wags committed Apr 21, 2023
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
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    pre-commit-ci[bot] committed Apr 21, 2023
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