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Change SMILES to Mol in input arguments of read_pdbqt #21

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DrrDom opened this issue Oct 31, 2022 · 0 comments
Open

Change SMILES to Mol in input arguments of read_pdbqt #21

DrrDom opened this issue Oct 31, 2022 · 0 comments

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@DrrDom
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DrrDom commented Oct 31, 2022

This will help to avoid the issue with missing Hs in input template mol, which are stripped during Chem.MolFromSmiles operation. so a user will be able to construct a molecules as needed.
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