- a python package for crystallographic computations!
xfab was originally a python library for the totalcryst program with crystallographic computations inside. Mostly written by Henning Sorensen and Jette Oddershede at Riso.
Today xfab is maintaned by the FABLE-3DXRD organization which features many open source libraries for crystallography and diffraction analysis.
For general use you may want to get the latest release from pypi using pip
pip install xfab
If you want the smokingly hot and fresh current code, you could clone the repo and build locally from the source
git clone https://github.com/FABLE-3DXRD/xfab.git
cd xfab
pip install .
If you want to make a contribution to xfab you will want to make a fork, clone it, and install in editable mode, using
pip install --editable .