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

Acta Crystallogr D Biol Crystallogr. 2004 Oct;60(Pt 10):1833-9. doi: 10.1107/S0907444904019419. Epub 2004 Sep 23.

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.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Automation
  • Computational Biology
  • Crystallography, X-Ray
  • Database Management Systems
  • Databases, Protein*
  • Information Storage and Retrieval
  • Models, Molecular
  • Protein Conformation
  • Proteins / chemistry*
  • Reproducibility of Results
  • Sequence Analysis, Protein
  • Software
  • X-Ray Diffraction*

Substances

  • Proteins