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diffpy.structure

Community

Crystal structure container and parsers for structure formats.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::diffpy.structure

Usage Tracking

3.3.1
3.3.1rc0
3.3.0
3.2.2
3.2.2rc0
5 / 8 versions selected
Downloads (Last 6 months): 0

Description

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.

About

Summary

Crystal structure container and parsers for structure formats.

Last Updated

Jul 25, 2025 at 11:21

License

LicenseRef-diffpy

Total Downloads

72.1K

Supported Platforms

noarch

Unsupported Platforms

linux-64 Last supported version: 3.0a2