title: PHENIX: 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.
authors.affiliation: Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. pdadams@lbl.gov
authors.forename: Paul D
authors.initials: PD
authors.lastname: Adams
authors.forename: Pavel V
authors.initials: PV
authors.lastname: Afonine
authors.forename: Gábor
authors.initials: G
authors.lastname: Bunkóczi
authors.forename: Vincent B
authors.initials: VB
authors.lastname: Chen
authors.forename: Ian W
authors.initials: IW
authors.lastname: Davis
authors.forename: Nathaniel
authors.initials: N
authors.lastname: Echols
authors.forename: Jeffrey J
authors.initials: JJ
authors.lastname: Headd
authors.forename: Li-Wei
authors.initials: LW
authors.lastname: Hung
authors.forename: Gary J
authors.initials: GJ
authors.lastname: Kapral
authors.forename: Ralf W
authors.initials: RW
authors.lastname: Grosse-Kunstleve
authors.forename: Airlie J
authors.initials: AJ
authors.lastname: McCoy
authors.forename: Nigel W
authors.initials: NW
authors.lastname: Moriarty
authors.forename: Robert
authors.initials: R
authors.lastname: Oeffner
authors.forename: Randy J
authors.initials: RJ
authors.lastname: Read
authors.forename: David C
authors.initials: DC
authors.lastname: Richardson
authors.forename: Jane S
authors.initials: JS
authors.lastname: Richardson
authors.forename: Thomas C
authors.initials: TC
authors.lastname: Terwilliger
authors.forename: Peter H
authors.initials: PH
authors.lastname: Zwart
mesh_terms: D000465:Algorithms; D018360:Crystallography, X-Ray / Q000379:methods*; D008958:Models, Molecular; D012985:Software Design