OpenStructure: an integrated software framework for computational structural biology.
OpenStructure: an integrated software framework for computational structural biology.
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DOI：
10.1107/s0907444913007051
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发表时间：
2013-05
期刊：
影响因子：
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通讯作者：
Schwede T
中科院分区：
文献类型：
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作者：
Biasini M;Schmidt T;Bienert S;Mariani V;Studer G;Haas J;Johner N;Schenk AD;Philippsen A;Schwede T
目前的发展在计算结构生物学框架OpenStructure。结构生物学的研究项目越来越多地依赖于异质信息源的组合，例如来自多个序列比对的进化信息、密度图形式的实验证据和来自蛋白质组学实验的邻近约束。开放结构软件框架允许无缝整合不同来源的信息，以前已经介绍过。该软件由C++库组成，完全可以从Python编程语言访问。此外，该框架提供了一个复杂的图形模块，以交互方式显示分子结构和三维密度图。在这项工作中，OpenStructure框架的最新发展进行了概述。该框架的广泛功能将使用简短的代码示例来说明，这些代码示例显示了如何将分子结构坐标的信息与序列数据和/或密度图相结合。该框架已在LGPL版本3许可下发布，可从http://www.openstructure.org下载。
Current developments in the computational structural biology framework OpenStructure are presented. Research projects in structural biology increasingly rely on combinations of heterogeneous sources of information, e.g. evolutionary information from multiple sequence alignments, experimental evidence in the form of density maps and proximity constraints from proteomics experiments. The OpenStructure software framework, which allows the seamless integration of information of different origin, has previously been introduced. The software consists of C++ libraries which are fully accessible from the Python programming language. Additionally, the framework provides a sophisticated graphics module that interactively displays molecular structures and density maps in three dimensions. In this work, the latest developments in the OpenStructure framework are outlined. The extensive capabilities of the framework will be illustrated using short code examples that show how information from molecular-structure coordinates can be combined with sequence data and/or density maps. The framework has been released under the LGPL version 3 license and is available for download from http://www.openstructure.org.