steric-parameters topic

DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format

patonlab

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

bobbypaton

Python tools for automating routine tasks encountered when running quantum chemistry computations.

QChASM

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

QChASM