Reinert Knut, Kohlbacher Oliver
Department Computer Science and Mathematics, Free University of Berlin, Berlin, Germany.
Methods Mol Biol. 2010;604:201-11. doi: 10.1007/978-1-60761-444-9_14.
The automatic analysis of mass spectrometry data is becoming more and more important since increasingly larger datasets are readily available that cannot be evaluated manually. This has triggered the development of several open-source software libraries for the automatic analysis of such data. Among those is OpenMS together with TOPP (The OpenMS Proteomics Pipeline). OpenMS is a C++ library for rapid prototyping of complex algorithms for the analysis of mass spectrometry data. Based on the OpenMS library, TOPP provides a collection of tools for the most important tasks in proteomics analysis. The tight coupling of OpenMS and TOPP makes it easy to extend TOPP by adding new tools to the OpenMS library. We describe the overall concepts behind the software and illustrate its use with several examples.
随着越来越多的大型数据集变得易于获取且无法手动评估，质谱数据的自动分析变得越来越重要。这引发了几个用于此类数据自动分析的开源软件库的开发。其中包括OpenMS以及TOPP（OpenMS蛋白质组学管道）。OpenMS是一个C++库，用于快速开发用于质谱数据分析的复杂算法的原型。基于OpenMS库，TOPP提供了一系列用于蛋白质组学分析中最重要任务的工具。OpenMS和TOPP的紧密结合使得通过向OpenMS库中添加新工具来扩展TOPP变得很容易。我们描述了该软件背后的总体概念，并通过几个示例来说明其用法。
