Python-based Hierarchical ENvironment for Integrated Xtallography

One of the development goals of PHENIX is to provide a new computational platform that can be used by other software developers. PHENIX makes use of the Python scripting language and dynamic loading of compiled C++ extension classes. This enables other developers to write code, or Python scripts that are easily loaded into the system. We encourage other researchers to make use of the infrastructure provided by PHENIX.

In addition to the open design of the PHENIX system the Computational Crystallography Initiative (at LBNL) has been developing open source libraries for X-ray crystallography. The Computational Crystallography Toolbox (cctbx) is hosted as SourceForge. The cctbx provides a set of basic programming tools for X-ray crystallography, including a space group toolbox, unit cell toolbox, atomic displacement parameter toolbox, element toolbox, structure factor toolbox, and fast fourier transform toolbox. These are all written in C++ and include Boost Python bindings that expose the classes and associated methods to the Python scripting language.

The cctbx is true open source that can be downloaded, used, modified and redistributed by anyone. If you are interested in contributing to the cctbx project please check out the cctbx site on SourceForge, or contact the CCI group at LBNL.