BALBES: a molecular-replacement pipeline

Fei Long, Alexei A. Vagin, Paul Young, Garib N. Murshudov

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)125-132
Number of pages8
JournalActa crystallographica section d-Biological crystallography
Volume64
Issue number1
DOIs
Publication statusPublished - 4 Jan 2008

Keywords

  • MODEL
  • REFINEMENT
  • ROTATION
  • PROTEINS
  • PROGRAM
  • SEARCH
  • MOLREP
  • TOOL

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