What is Phenix?

Developed since 2002, ​Phenix is a comprehensive software package for macromolecular structure determination for crystallographic and electron cryo-EM data. Features include:

Automation

Able to construct initial model without human intervention given reasonable starting data. Available via GUI or command line.

Ligand fitting

In addition to automated fitting of known ligands, can identify ligands from a difference map. Refinement parameters for ligands not in its monomer library can be developed through through its electronic ligand builder and optimization workbench (eLBOW).

Programmable

Built on C++/Python, many fundamental objects/functions provided by Computational Crystallography Toolbox (cctbx) and scriptable from there. Moving to Python 3.

Broad/diverse development team

Current groups: Paul Adams (LBL); Tom Terwilliger (LANL); Randy Read (Cambridge); David and Jane Richardson (Duke)