.. Structure documentation master file, created by sphinx-quickstart on Tue Oct 22 12:02:48 2013. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. #################################################### diffpy.Structure documentation #################################################### Software version |release|. Last updated |today|. diffpy.Structure - simple storage and manipulation of crystal structures 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. To learn more about diffpy.Structure library, see the examples directory included in this distribution or the API documentation =================== Disclaimer =================== .. literalinclude:: ../../../LICENSE.txt ================ Acknowledgments ================ Developers ----------- diffpy.Structure is developed and maintained by .. literalinclude:: ../../../AUTHORS.txt Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py* originate from the pymmlib project, http://pymmlib.sourceforge.net. ====================================== Installation ====================================== See the `README.rst `_ file included with the distribution. ====================================== API and Index ====================================== .. toctree:: :maxdepth: 2 api/diffpy.Structure.rst * :ref:`genindex`