patonlab / wSterimol Star 25 Code Issues Pull requests 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 Star 20 Code Issues Pull requests 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