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

DOI: 10.1107/S2059798317016035 DOI Help

Authors: Liz Potterton (University of York) , Jon Agirre (University of York) , Charles Ballard (STFC Rutherford Appleton Laboratory) , Kevin Cowtan (University of York) , Eleanor Dodson (University of York) , Phil R. Evans (MRC Laboratory of Molecular Biology) , Huw T. Jenkins (University of York) , Ronan Keegan (STFC Rutherford Appleton Laboratory) , Eugene Krissinel (STFC Rutherford Appleton Laboratory) , Kyle Stevenson (STFC Rutherford Appleton Laboratory) , Andrey Lebedev (STFC Rutherford Appleton Laboratory) , Stuart J. Mcnicholas (University of York) , Robert A. Nicholls (MRC Laboratory of Molecular Biology) , Martin Noble (University of Newcastle upon Tyne) , Navraj S. Pannu (Leiden University) , Christian Roth (University of York) , George Sheldrick (Georg-August-Universität Göttingen) , Pavol Skubak (Leiden University) , Johan Turkenburg (University of York) , Ville Uski (STFC Rutherford Appleton Laboratory) , Frank Von Delft (Diamond Light Source) , David Waterman (STFC Rutherford Appleton Laboratory) , Keith Wilson (University of York) , Martyn Winn (STFC Rutherford Appleton Laboratory) , Marcin Wojdyr (STFC Rutherford Appleton Laboratory)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section D Structural Biology , VOL 74 , PAGES 68 - 84

State: Published (Approved)
Published: February 2018

Open Access Open Access

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.

Journal Keywords: graphical user interfaces; structure solution; CCP4; CCP4i2; automation; pipelines

Subject Areas: Information and Communication Technology


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