CCP4i2: the new graphical user interface to the CCP4 program suite.
CCP4i2: the new graphical user interface to the CCP4 program suite.
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DOI：
10.1107/s2059798317016035
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发表时间：
2018-02-01
期刊：
影响因子：
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通讯作者：
Wojdyr M
中科院分区：
文献类型：
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作者：
Potterton L;Agirre J;Ballard C;Cowtan K;Dodson E;Evans PR;Jenkins HT;Keegan R;Krissinel E;Stevenson K;Lebedev A;McNicholas SJ;Nicholls RA;Noble M;Pannu NS;Roth C;Sheldrick G;Skubak P;Turkenburg J;Uski V;von Delft F;Waterman D;Wilson K;Winn M;Wojdyr M
CCP4i2是CCP4（协作计算项目，4号）软件套件的图形用户界面和用于软件自动化的Python语言框架。CCP4（协作计算项目，4号）软件套件用于X射线晶体学组的大分子结构测定，它汇集了许多程序和库，通过完善的约定，有效地互操作，而无需遵守严格的设计准则。由于这种固有的灵活性，用户经常会面临各种各样的，甚至是不同的选择，以解决每一种类型的问题。最近，CCP4推出了CCP4i2，这是一个现代化的图形界面，旨在帮助结构生物学家导航结构确定的过程，重点是流水线和结果的简化呈现。此外，CCP4i2还提供了一个编写结构解决方案脚本的框架，可以逐步建立这些脚本，以创建越来越自动化的过程。
CCP4i2 is a graphical user interface to the CCP4 (Collaborative Computational Project, Number 4) software suite and a Python language framework for software automation. The CCP4 (Collaborative Computational Project, Number 4) software suite for macromolecular structure determination by X-ray crystallography groups brings together many programs and libraries that, by means of well established conventions, interoperate effectively without adhering to strict design guidelines. Because of this inherent flexibility, users are often presented with diverse, even divergent, choices for solving every type of problem. Recently, CCP4 introduced CCP4i2, a modern graphical interface designed to help structural biologists to navigate the process of structure determination, with an emphasis on pipelining and the streamlined presentation of results. In addition, CCP4i2 provides a framework for writing structure-solution scripts that can be built up incrementally to create increasingly automatic procedures.