diffpy.structure
Crystal structure container and parsers for structure formats.
Crystal structure container and parsers for structure formats.
To install this package, run one of the following:
The diffpy.Structure package provides objects for storing atomic coordinates, displacement parameters and other crystal structure data. diffpy.Structure supports import and export of structure data in several structure formats such as CIF, PDB, xyz. It provides conversion between fractional and absolute Cartesian coordinates, functions for symmetry expansion from asymmetric unit and generation of symmetry constraints for atom positions and displacement parameters. diffpy.Structure includes definitions of all space groups in over 500 symmetry settings.
Summary
Crystal structure container and parsers for structure formats.
Information Last Updated
Jul 25, 2025 at 11:21
License
LicenseRef-diffpy
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GitHub Repository
https://github.com/diffpy/diffpy.structureDocumentation
http://www.diffpy.org/diffpy.structure/