<i>CCP</i>4<i>i</i>2: the new graphical user interface to the<i>CCP</i>4 program suite

Liz Potterton(University of York), Jon Agirre(University of York), Charles Ballard(Rutherford Appleton Laboratory), Kevin Cowtan(University of York), E.J. Dodson(University of York), Phil Evans(MRC Laboratory of Molecular Biology), Huw T. Jenkins(University of York), Ronan M. Keegan(Rutherford Appleton Laboratory), Eugene Krissinel(Rutherford Appleton Laboratory), Kyle Stevenson(Rutherford Appleton Laboratory), Andrey A. Lebedev(Rutherford Appleton Laboratory), Stuart McNicholas(University of York), Robert A. Nicholls(MRC Laboratory of Molecular Biology), M.E.M. Noble(Newcastle University), Navraj S. Pannu(Leiden University), Christian Roth(University of York), George M. Sheldrick(University of Göttingen), Pavol Skubák(Leiden University), J.P. Turkenburg(University of York), Ville Uski(Rutherford Appleton Laboratory), F. von Delft(Diamond Light Source), David G. Waterman(Rutherford Appleton Laboratory), Keith S. Wilson(University of York), Martyn Winn(Rutherford Appleton Laboratory), Marcin Wojdyr(Rutherford Appleton Laboratory)
Acta Crystallographica Section D Structural Biology
February 1, 2018
10.1107/s2059798317016035
Cited by 585Open Access
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Abstract

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.

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