bPE工具箱:计算蛋白质工程的工具箱。

Systems and Synthetic Biology Pub Date : 2014-12-01 Epub Date: 2014-10-19 DOI:10.1007/s11693-014-9156-4
Gaurav Jerath, Prakash Kishore Hazam, Vibin Ramakrishnan
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引用次数: 3

摘要

我们提出了一个由五个实用工具组成的计算工具包,用于在PDB格式的蛋白质结构文件上执行基本操作。该工具包由五个不同的程序组成,可以作为计算蛋白质结构表征管道的一部分集成,也可以作为一个独立的分析包。这些程序包括氨基酸手性检查工具(ProChiral)、接触图生成工具(CoMa)、数据冗余工具(DaRe)、氢键势能工具(HyPE)和静电相互作用能工具(EsInE)。toolkit中的所有程序均可通过以下链接访问和下载:http://www.iitg.ac.in/bpetoolkit/。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

bPE toolkit: toolkit for computational protein engineering.

bPE toolkit: toolkit for computational protein engineering.

bPE toolkit: toolkit for computational protein engineering.

We present a computational toolkit consisting of five utility tools, for performing basic operations on a protein structure file in PDB format. The toolkit consists of five different programs which can be integrated as part of a pipeline for computational protein structure characterization or as a standalone analysis package. The programs include tools for chirality check for amino acids (ProChiral), contact map generation (CoMa), data redundancy (DaRe), hydrogen bond potential energy (HyPE) and electrostatic interaction energy (EsInE). All programs in the toolkit can be accessed and downloaded through the following link: http://www.iitg.ac.in/bpetoolkit/.

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