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sterics

Here are 2 public repositories matching this topic...

patonlab / wSterimol

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

pymol-plugin pymol organic-chemistry conformational-analysis qsar sterimol sterics steric-parameters sterimol-parameters

Updated Jun 21, 2022
Python

patonlab / Sterimol

Calculate Sterimol Parameters from Sructure Input/Output Files

gaussian organic-chemistry conformational-analysis qsar cpk cone-angles sterimol sterics sterimol-parameters sandwich-complexes

Updated Nov 26, 2020
Python

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