SMI2PDB: A self-contained Python tool to generate atomistic systems of organic molecules using their SMILES notations

Eli I. Assaf, Xueyan Liu 0014, Peng Lin, Sandra Erkens. SMI2PDB: A self-contained Python tool to generate atomistic systems of organic molecules using their SMILES notations. Softw. Impacts, 20:100655, 2024. [doi]

Authors

Eli I. Assaf

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Xueyan Liu 0014

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Peng Lin

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Sandra Erkens

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