Overview of the CCP4 suite and current developments.
Overview of the CCP4 suite and current developments.
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DOI：
10.1107/s0907444910045749
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发表时间：
2011-04
期刊：
影响因子：
--
通讯作者：
Wilson KS
中科院分区：
文献类型：
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作者：
Winn MD;Ballard CC;Cowtan KD;Dodson EJ;Emsley P;Evans PR;Keegan RM;Krissinel EB;Leslie AG;McCoy A;McNicholas SJ;Murshudov GN;Pannu NS;Potterton EA;Powell HR;Read RJ;Vagin A;Wilson KS
概述了CCP4软件套件的大分子晶体学。CCP4（协作计算项目，编号4）软件套件是一个程序和相关数据和软件库的集合，可用于通过x射线晶体学测定大分子结构。该套件的设计非常灵活，允许用户使用多种方法来实现他们的目标。这些程序来自各种各样的来源，但通过标准文件格式、数据对象和图形界面提供的公共基础设施连接在一起。大分子晶体学的结构解决方案正变得越来越自动化，CCP4套件包括几个自动化管道。在简要描述了CCP4在过去30年的发展之后，对当前套件进行了概述。虽然在随附的文章中给出了详细的描述，但这里展示了单个程序如何对完整的软件包做出贡献。
An overview of the CCP4 software suite for macromolecular crystallography is given. The CCP4 (Collaborative Computational Project, Number 4) software suite is a collection of programs and associated data and software libraries which can be used for macromolecular structure determination by X-ray crystallography. The suite is designed to be flexible, allowing users a number of methods of achieving their aims. The programs are from a wide variety of sources but are connected by a common infrastructure provided by standard file formats, data objects and graphical interfaces. Structure solution by macromolecular crystallography is becoming increasingly automated and the CCP4 suite includes several automation pipelines. After giving a brief description of the evolution of CCP4 over the last 30 years, an overview of the current suite is given. While detailed descriptions are given in the accompanying articles, here it is shown how the individual programs contribute to a complete software package.