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