sterimol

Here are 3 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

QChASM / SEQCROW

Star

Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.

gui density-functional-theory molecular-graphics quantum-chemistry graphical-user-interface catalysis sterimol steric-parameters ucsf-chimerax quantum-chemistry-automation ir-spectra

Updated Nov 8, 2024
Python

patonlab / Sterimol

Star

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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