steric-parameters

There are 4 repositories under steric-parameters topic.

  • patonlab/DBSTEP

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

    Language:Python553810

  • QChASM/AaronTools.py

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

    Language:Python523268

  • patonlab/wSterimol

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

    Language:Python293411
  • SEQCROW

    QChASM/SEQCROW

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

    Language:Python271206