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Phaser crystallographic software.

Published version
Peer-reviewed

Type

Article

Change log

Authors

McCoy, Airlie J 
Grosse-Kunstleve, Ralf W 
Adams, Paul D 
Winn, Martyn D 
Storoni, Laurent C 

Abstract

Phaser is a program for phasing macromolecular crystal structures by both molecular replacement and experimental phasing methods. The novel phasing algorithms implemented in Phaser have been developed using maximum likelihood and multivariate statistics. For molecular replacement, the new algorithms have proved to be significantly better than traditional methods in discriminating correct solutions from noise, and for single-wavelength anomalous dispersion experimental phasing, the new algorithms, which account for correlations between F(+) and F(-), give better phases (lower mean phase error with respect to the phases given by the refined structure) than those that use mean F and anomalous differences DeltaF. One of the design concepts of Phaser was that it be capable of a high degree of automation. To this end, Phaser (written in C++) can be called directly from Python, although it can also be called using traditional CCP4 keyword-style input. Phaser is a platform for future development of improved phasing methods and their release, including source code, to the crystallographic community.

Description

Keywords

MOLECULAR-GRAPHICS PROJECT, FAST TRANSLATION FUNCTIONS, FREQUENCY NORMAL-MODES, HEAVY-ATOM METHOD, MACROMOLECULAR STRUCTURES, ANOMALOUS SCATTERERS, REPLACEMENT, LIKELIHOOD, SEARCH, CCP4

Journal Title

J Appl Crystallogr

Conference Name

Journal ISSN

0021-8898
1600-5767

Volume Title

40

Publisher

International Union of Crystallography (IUCr)
Sponsorship
National Institute of General Medical Sciences (P01GM063210)