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robocrys

Community

Automatic generation of crystal structure descriptions.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::robocrys

Usage Tracking

0.2.13
0.2.12
0.2.11
0.2.10
0.2.9
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Downloads (Last 6 months): 0

Description

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...

About

Summary

Automatic generation of crystal structure descriptions.

Last Updated

Jan 24, 2026 at 09:58

License

MIT

Total Downloads

14.1K

Supported Platforms

noarch