Deposition of macromolecular structures
Deposition of macromolecular structures
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DOI：
10.1107/s0907444998008464
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发表时间：
1998-11-01
期刊：
影响因子：
--
通讯作者：
Barton, GJ
中科院分区：
文献类型：
--
作者：
Keller, PA;Henrick, K;Barton, GJ
大分子结构正以越来越快的速度被确定，并且引起了各种各样的研究人员的兴趣。将大分子结构存入蛋白质数据库，使其随时可供社区使用。数据的准确性、一致性和机器可读性是必不可少的，同样重要的是质量的明确指标和足够的信息，以允许非实验者解释数据。要做到这一点，就必须有高质量的证词。PDB的AutoDep系统允许沉积和一些初步的自动检查在多个地点进行，然后由PDB对结构进行全面处理和发布。然而，沉积结构目前需要在沉积时手动输入大量信息。数据收集方法将允许存放更多信息，而不会给存放者带来额外负担。沉积准备文件将在结构测定实验过程中自动生成。这些额外的信息将有助于对这些结构适用更好的验证程序，并使数据对更广泛的科学界更有用。
Macromolecular structures are being determined at an increasing rate, and are of interest to a wide diversity of researchers. Depositing a macromolecular structure with the Protein Data Bank makes it readily available to the community. Accuracy, consistency and machine-readability of the data are essential, as are clear indications of quality, and sufficient information to allow nonexperimentalists to interpret the data. Good-quality depositions are necessary to allow this to be achieved. The PDB's AutoDep system allows deposition and some preliminary automatic checking to take place at multiple sites, prior to full processing and release of the structure by the PDB. However, depositing a structure currently requires the manual entry of a large amount of information at the time of deposition. The data-harvesting approach will allow much more information to be deposited, without placing an additional burden on the depositor. Deposition-ready files will be generated automatically during the course of a structure-determination experiment. The additional information will allow improved validation procedures to be applied to the structures, and the data to be made more useful to the wider scientific community.