Structure - objects for storage and manipulation of crystal structures.
The package supports imports and exports in several file formats.
Structure also provides space group definitions and utilities for
expansion of asymmetric unit and generation of symmetry constraints
on positions and thermal factors.
Structure is normally installed as a part of DiffPy library.
To install or update the Structure package only:
python setup.py install
Structure requires:
numpy 0.9.8
Also recommended:
AtomEye http://alum.mit.edu/www/liju99/Graphics/A
(Needs to be saved as "atomeye".)
Structure installs the following executables:
transtru translation between supported structure formats
anyeye display structure in the AtomEye viewer
For more information on Structure please visit the project web-page:
http://danse.us/trac/diffraction
or email Prof. Simon Billinge at billinge@pa.msu.edu
Last modified $Date$