PHENIX : a comprehensive Python-based system for macromolecular structure solution

作者：Paul D. Adams, Pavel V. Afonine, G. Bunkóczi, Vincent B. Chen, Ian Davis, Nathaniel Echols, Jeffrey J. Headd, Li‐Wei Hung, Gary J. Kapral, Ralf W. Grosse‐Kunstleve, Airlie J. McCoy, Nigel W. Moriarty, Robert D. Oeffner, Randy J. Read, David Richardson, Jane S. Richardson, Thomas C. Terwilliger, Peter H. Zwart · 发表于：Acta Crystallographica Section D Biological Crystallography · 年份：2010 · DOI：10.1107/s0907444909052925 · 被引用次数：24846 · 研究领域：Enzyme Structure and Function、Protein Structure and Dynamics、Microbial Metabolic Engineering and Bioproduction

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.