repositories Search Results · topic:sterimol-parameters org:patonlab
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inpatonlab (press backspace or delete to remove)DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …
- Python
- 49
- Updated on Jun 23
Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
- Python
- 27
- Updated on Jun 21, 2022
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Calculate Sterimol Parameters from Sructure Input/Output Files
- Python
- 20
- Updated on Nov 26, 2020
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