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

Journal Article

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.

Full Text

Duke Authors

Cited Authors

  • Adams, PD; Afonine, PV; Bunkóczi, G; Chen, VB; Davis, IW; Echols, N; Headd, JJ; Hung, L-W; Kapral, GJ; Grosse-Kunstleve, RW; McCoy, AJ; Moriarty, NW; Oeffner, R; Read, RJ; Richardson, DC; Richardson, JS; Terwilliger, TC; Zwart, PH

Published Date

  • February 2010

Published In

Volume / Issue

  • 66 / Pt 2

Start / End Page

  • 213 - 221

PubMed ID

  • 20124702

Pubmed Central ID

  • 20124702

Electronic International Standard Serial Number (EISSN)

  • 1399-0047

Digital Object Identifier (DOI)

  • 10.1107/S0907444909052925


  • eng

Conference Location

  • United States