Repository logo
 

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

Published version
Peer-reviewed

Type

Article

Change log

Authors

Adams, Paul D 
Afonine, Pavel V 
Bunkóczi, Gábor 
Chen, Vincent B 
Davis, Ian W 

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.

Description

Keywords

Algorithms, Crystallography, X-Ray, Models, Molecular, Software Design

Journal Title

Acta Crystallogr D Biol Crystallogr

Conference Name

Journal ISSN

0907-4449
1399-0047

Volume Title

66

Publisher

International Union of Crystallography (IUCr)
Sponsorship
Wellcome Trust (082961/Z/07/Z)
National Institute of General Medical Sciences (P01GM063210)