Phaser.MRage: automated molecular replacement

Phaser.MRage is a molecular‐replacement automation framework that implements a full model‐generation workflow and provides several layers of model exploration to the user. It is designed to handle a large number of models and can distribute calculations efficiently onto parallel hardware. In additio...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2013-11, Vol.69 (11), p.2276-2286
Hauptverfasser: Bunkóczi, Gábor, Echols, Nathaniel, McCoy, Airlie J., Oeffner, Robert D., Adams, Paul D., Read, Randy J.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Phaser.MRage is a molecular‐replacement automation framework that implements a full model‐generation workflow and provides several layers of model exploration to the user. It is designed to handle a large number of models and can distribute calculations efficiently onto parallel hardware. In addition, phaser.MRage can identify correct solutions and use this information to accelerate the search. Firstly, it can quickly score all alternative models of a component once a correct solution has been found. Secondly, it can perform extensive analysis of identified solutions to find protein assemblies and can employ assembled models for subsequent searches. Thirdly, it is able to use a priori assembly information (derived from, for example, homologues) to speculatively place and score molecules, thereby customizing the search procedure to a certain class of protein molecule (for example, antibodies) and incorporating additional biological information into molecular replacement.
ISSN:1399-0047
0907-4449
1399-0047
DOI:10.1107/S0907444913022750