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spack.io : py-robocrys
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.
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Source
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purl: pkg:spack/py-robocrys
Keywords: crystal-structure, crystallography, materials-science
License: Other
Latest release: about 1 year ago
First release: about 1 year ago
Stars: 65 on GitHub
Forks: 16 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 17 days ago