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CCP4软件包概述及当前进展

Overview of the CCP4 suite and current developments.

作者信息

Winn Martyn D, Ballard Charles C, Cowtan Kevin D, Dodson Eleanor J, Emsley Paul, Evans Phil R, Keegan Ronan M, Krissinel Eugene B, Leslie Andrew G W, McCoy Airlie, McNicholas Stuart J, Murshudov Garib N, Pannu Navraj S, Potterton Elizabeth A, Powell Harold R, Read Randy J, Vagin Alexei, Wilson Keith S

机构信息

STFC Daresbury Laboratory, Daresbury, Warrington, England.

出版信息

Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):235-42. doi: 10.1107/S0907444910045749. Epub 2011 Mar 18.

Abstract

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.

摘要

CCP4(协作计算项目,第4号)软件套件是一组程序以及相关数据和软件库的集合,可用于通过X射线晶体学确定大分子结构。该套件设计灵活,为用户提供了多种实现目标的方法。这些程序来源广泛,但通过标准文件格式、数据对象和图形界面提供的通用基础设施相互连接。大分子晶体学的结构解析正变得越来越自动化,CCP4套件包含多个自动化流程。在简要介绍了CCP4在过去30年的发展历程后,对当前套件进行了概述。虽然随附文章中有详细描述,但此处展示了各个程序如何构成一个完整的软件包。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13d2/3069738/85aec4a397f0/d-67-00235-fig1a.jpg

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