CCP4i2: the new graphical user interface to the CCP4 program suite

被引：373

作者：

Potterton, Liz ^{[1
]}

Agirre, Jon ^{[1
]}

Ballard, Charles ^{[2
]}

Cowtan, Kevin ^{[1
]}

Dodson, Eleanor ^{[1
]}

Evans, Phil R. ^{[3
]}

Jenkins, Huw T. ^{[1
]}

Keegan, Ronan ^{[2
]}

Krissinel, Eugene ^{[2
]}

Stevenson, Kyle ^{[2
]}

Lebedev, Andrey ^{[2
]}

McNicholas, Stuart J. ^{[1
]}

Nicholls, Robert A. ^{[3
]}

Noble, Martin ^{[4
]}

Pannu, Navraj S. ^{[5
]}

Roth, Christian ^{[1
]}

Sheldrick, George ^{[6
]}

Skubak, Pavol ^{[5
]}

Turkenburg, Johan ^{[1
]}

Uski, Ville ^{[2
]}

von Delft, Frank ^{[7
,8
]}

Waterman, David ^{[2
]}

Wilson, Keith ^{[1
]}

Winn, Martyn ^{[2
]}

Wojdyr, Marcin ^{[2
]}

机构：

[1] Univ York, Dept Chem, York Struct Biol Lab, York YO10 5DD, N Yorkshire, England

[2] STFC Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England

[3] MRC Lab Mol Biol, Francis Crick Ave, Cambridge CB2 0QH, England

[4] Univ Newcastle Tyne, Northern Inst Canc Res, Framlington Pl, Newcastle Upon Tyne NE2 4HH, Tyne & Wear, England

[5] Leiden Univ, Biophys Struct Chem, POB 9502, NL-2300 RA Leiden, Netherlands

[6] Georg August Univ Gottingen, Dept Struct Chem, Tammannstr 4, D-37077 Gottingen, Germany

[7] Univ Oxford, Nuffield Dept Med, Oxford OX3 7BN, England

[8] Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2018年 / 74卷

基金：

英国生物技术与生命科学研究理事会; 英国科学技术设施理事会; 英国医学研究理事会;

关键词：

graphical user interfaces; structure solution; CCP4; CCP4i2; automation; pipelines; MOLECULAR-REPLACEMENT; DATA REDUCTION; MODEL; REFINEMENT; INTEGRATION; IMPROVEMENT; SOFTWARE; MRBUMP;

D O I：

10.1107/S2059798317016035

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：68 / 84

页数：17

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