Atoms Python Packages

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

trex-re

Token-Regular EXpression: a regex-shaped pattern language over typed tokens, evaluated by derivatives

libquantum

Standardized Gabor atom representations with minimal time-frequency uncertainty.

batoms

Python module for drawing and rendering beautiful atoms and molecules using Blender.

contactextractor

Contact Extractor from PDB/mmCIF coordinate files

imd-cookie-cutter

A tool for removing atoms in IMD config files, just like a cookie cutter in higher dimensions