Implementing an X-ray validation pipeline for the Protein Data Bank.
Implementing an X-ray validation pipeline for the Protein Data Bank.
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DOI：
10.1107/s0907444911050359
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发表时间：
2012-04
期刊：
影响因子：
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通讯作者：
Kleywegt GJ
中科院分区：
文献类型：
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作者：
Gore S;Velankar S;Kleywegt GJ
验证管道的实施，基于社区的建议，为未来的沉积物的X射线晶体结构的蛋白质数据库进行说明。越来越多的人认识到，蛋白质数据库（PDB）存档中存储的生物大分子结构的质量需要使用已建立的强大验证方法进行严格评估。全球蛋白质数据库（wwPDB）组织召集了几个验证工作组（VTF），就用于验证PDB中所有条目以及未来将存放的所有结构的方法和标准提供建议。X射线VTF的建议目前正在软件管道中实施。在这里，正在进行的工作，这个管道，以及验证相关的信息可以呈现给用户的结构数据的方式进行了简要介绍。
The implementation of a validation pipeline, based on community recommendations, for future depositions of X-ray crystal structures in the Protein Data Bank is described. 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.