DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format
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Nov 5, 2024 - Python
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molecular-features
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Library for calculating exact ligand cone angles
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Updated
Aug 21, 2022 - Fortran
Library to compute molecular surfaces and volumes.
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Updated
Sep 21, 2022 - Fortran
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