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Acta Crystallogr D Biol Crystallogr. 2004 Oct;60(Pt 10):1833-9. Epub 2004 Sep 23.

Automated and accurate deposition of structures solved by X-ray diffraction to the Protein Data Bank.

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1
Protein Data Bank, Research Collaboratory for Structural Bioinformatics, Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854-8087, USA.

Abstract

The RCSB Protein Data Bank (PDB) has a number of options for deposition of structural data and has developed software tools to facilitate the process. In addition to ADIT and the PDB Validation Suite, a new software application, pdb_extract, has been designed to promote automatic data deposition of structures solved by X-ray diffraction. The pdb_extract software can extract information about data reduction, phasing, molecular replacement, density modification and refinement from the output files produced by many X-ray crystallographic applications. The options, procedures and tools for accurate and automated PDB data deposition are described here.

PMID:
15388930
DOI:
10.1107/S0907444904019419
[Indexed for MEDLINE]
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