Journal
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
Volume 64, Issue -, Pages 125-132Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0907444907050172
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Funding
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R01GM069758] Funding Source: NIH RePORTER
- NIGMS NIH HHS [R01 GM069758, 1 R01 GM069758-03] Funding Source: Medline
- Wellcome Trust [064405/Z/01/A] Funding Source: Medline
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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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