Xyz Python Packages

rmsd

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

cristma

CrIStMa — Crystallographic Infrastructure for Structures and Materials. Beta · Python 3.11+ · NumPy-only scientific library.

terracotta

A light-weight, versatile XYZ tile server, built with Flask and Rasterio :earth_africa:

color-space-converter

fast image color space conversion via numpy vectorization

xyzspaces

Manage your XYZ Hub or HERE Data Hub spaces from Python.

vipster

Visualization and editing of periodic molecular structure files.

coorddetect

Automatic XYZ coordinate detection and spatial diagnostics for CSV/Excel data