articleIUCrJMay 30, 2014GOLD OA

The PDB_REDO server for macromolecular structure model optimization

The Netherlands Cancer Institute · Oncode Institute · +1 more institution

PubMed
Indexed incrossrefdoajpubmed

Abstract

The refinement and validation of a crystallographic structure model is the last step before the coordinates and the associated data are submitted to the Protein Data Bank (PDB). The success of the refinement procedure is typically assessed by validating the models against geometrical criteria and the diffraction data, and is an important step in ensuring the quality of the PDB public archive [Read et al. (2011 ▶), Structure, 19, 1395-1412]. The PDB_REDO procedure aims for 'constructive validation', aspiring to consistent and optimal refinement parameterization and pro-active model rebuilding, not only correcting errors but striving for optimal interpretation of the electron density. A web server for PDB_REDO…

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891
total citations
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24.15
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100%
References
52
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Authors

4

Topics & keywords

Keywords
  • Protein Data Bank (RCSB PDB)
  • Protein Data Bank
  • Computer science
  • Scripting language
  • Data mining
  • Pipeline (software)
  • Software
  • Web server
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