DBSTEP

DFT-Based STEric Parameters (or DBSTEP) is an in-house Python package from the Paton group for collecting steric parameters from 3D molecular coordinates. Steric parameters available include percent buried volume, Sterimol (L, Bmin, Bmax) and new vectorized versions of these parameters, vol2vec and Sterimol2vec. This program can be used from the command line or in a script to obtain steric values from a variety of file formats or RDKit mol objects as input. Optional output allows for the visualization of the parameter measurements in PyMOL.

Documentation can be found in the Readme here