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首页> 外文期刊>Journal of Bioinformatics and Computational Biology >P.R.E.S.S. - An R-package for exploring residual-level protein structural statistics
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P.R.E.S.S. - An R-package for exploring residual-level protein structural statistics

机译：按。 -用于探索残留水平蛋白质结构统计信息的R包

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摘要

P.R.E.S.S. is an R-package developed to allow researchers to get access to and manipulate a large set of statistical data on protein residue-level structural properties such as residue-level virtual bond lengths, virtual bond angles, and virtual torsion angles. A large set of high-resolution protein structures is downloaded and surveyed. Their residue-level structural properties are calculated and documented. The statistical distributions and correlations of these properties can be queried and displayed. Tools are also provided for modeling and analyzing a given structure in terms of its residue-level structural properties. In particular, new tools for computing residue-level statistical potentials and displaying residue-level Ramachandran-like plots are developed for structural analysis and refinement. P.R.E.S.S. has been released in R as an open source software package, with a user-friendly GUI, accessible and executable by a public user in any R environment. P.R.E.S.S. can also be downloaded directly at http://www.math.iastate.edu/press/.
机译：按。是一个R包，旨在使研究人员可以访问和操纵有关蛋白质残基水平结构特性的大量统计数据，例如残基水平虚拟键长，虚拟键角和虚拟扭转角。下载并调查了大量高分辨率蛋白质结构。计算并记录了它们的残基级结构特性。可以查询和显示这些属性的统计分布和相关性。还提供了用于根据残基级结构特性对给定结构进行建模和分析的工具。特别是，开发了用于计算残基级统计潜力和显示残基级Ramachandran图的新工具，用于结构分析和优化。按。已在R中作为开放源代码软件包发布，它具有用户友好的GUI，可供任何R环境中的公共用户访问和执行。按。也可以直接从http://www.math.iastate.edu/press/下载。

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