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为蛋白质数据库实施一个X射线验证流程。

Implementing an X-ray validation pipeline for the Protein Data Bank.

作者信息

Gore Swanand, Velankar Sameer, Kleywegt Gerard J

机构信息

Protein Data Bank in Europe (PDBe), EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, England.

出版信息

Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):478-83. doi: 10.1107/S0907444911050359. Epub 2012 Mar 16.

Abstract

There is an increasing realisation that the quality of the biomacromolecular structures deposited in the Protein Data Bank (PDB) archive needs to be assessed critically using established and powerful validation methods. The Worldwide Protein Data Bank (wwPDB) organization has convened several Validation Task Forces (VTFs) to advise on the methods and standards that should be used to validate all of the entries already in the PDB as well as all structures that will be deposited in the future. The recommendations of the X-ray VTF are currently being implemented in a software pipeline. Here, ongoing work on this pipeline is briefly described as well as ways in which validation-related information could be presented to users of structural data.

摘要

人们越来越意识到,需要使用成熟且强大的验证方法来严格评估存放在蛋白质数据库(PDB)存档中的生物大分子结构的质量。全球蛋白质数据库(wwPDB)组织召集了几个验证特别工作组(VTF),就用于验证PDB中已有的所有条目以及未来将要存入的所有结构的方法和标准提供建议。X射线VTF的建议目前正在一个软件流程中实施。在此,简要介绍了该流程正在进行的工作以及向结构数据用户呈现与验证相关信息的方式。

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