geomepy

A program to manipulate molecular geometries


Keywords
chemistry, geometry
Licenses
Zlib/CERN-OHL-W-2.0
Install
pip install geomepy==1.0.2a2

Documentation

Geomepy

This program is intended at aligning geometries and give back the RMSD value.

usage

usage: geomepy [-h] [-g GEOMS]

optional arguments:
-h, --help show this help message and exit
-g GEOMS, --geoms GEOMS
  space separated geometry files to compare in xyz format