<i>PHENIX</i>: a comprehensive Python-based system for macromolecular structure solution

Abstract

Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures because of the need for manual interpretation of complex numerical data using many software packages and the repeated use of interactive three-dimensional graphics. PHENIX has been developed to provide a comprehensive system for macromolecular crystallographic structure solution with an emphasis on the automation of all procedures. This has relied on the development of algorithms that minimize or eliminate subjective input, the development of algorithms that automate procedures that are traditionally performed by hand and, finally, the development of a framework that allows a tight integration between the algorithms.

Keywords

Affiliated Institutions

• University of California, Berkeley US
• La Jolla Bioengineering Institute US
• Los Alamos National Laboratory US
• Lawrence Berkeley National Laboratory US
• Duke Medical Center US
• University of Cambridge GB
• Duke University Hospital US

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