The Phenix/DivCon plugin was highlighted in the recent Computational Crystallography Newsletter published by the Phenix developer group. In this article, we discuss the method, illustrate several examples, and provide the command line options used to run the calculation. The Newsletter is free for download from the link below.

Title: Quantum Mechanics-based Refinement in Phenix/DivCon

Authors: Oleg Y. Borbulevych, Nigel W. Moriarty, Paul D. Adams, and Lance M. Westerhoff

Reference: Computational Crystallography Newsletter (2014). 5, 26–30 (link).