robocrys
Automatic generation of crystal structure descriptions.
Automatic generation of crystal structure descriptions.
To install this package, run one of the following:
Robocrystallographer is a tool to generate text descriptions of crystal structures. Similar to how a real-life crystallographer would analyse a structure, robocrystallographer looks at the symmetry, local environment, and extended connectivity when generating a description. The package includes utilities for identifying molecule names, component orientations, heterostructure information, and more...
Summary
Automatic generation of crystal structure descriptions.
Last Updated
Nov 19, 2025 at 21:14
License
MIT
Total Downloads
13.8K
Supported Platforms
GitHub Repository
https://github.com/hackingmaterials/robocrystallographerDocumentation
https://hackingmaterials.lbl.gov/robocrystallographer/