BALBES: a Molecular-replacement Pipeline

Overview

Journal Acta Crystallogr D Biol Crystallogr

Specialty Chemistry

Date 2007 Dec 21

PMID 18094476

Citations 468

Authors

Fei Long

Alexei A Vagin

Paul Young

Garib N Murshudov

Affiliations

Soon will be listed here.

Abstract

The number of macromolecular structures solved and deposited in the Protein Data Bank (PDB) is higher than 40 000. Using this information in macromolecular crystallography (MX) should in principle increase the efficiency of MX structure solution. This paper describes a molecular-replacement pipeline, BALBES, that makes extensive use of this repository. It uses a reorganized database taken from the PDB with multimeric as well as domain organization. A system manager written in Python controls the workflow of the process. Testing the current version of the pipeline using entries from the PDB has shown that this approach has huge potential and that around 75% of structures can be solved automatically without user intervention.

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