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

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Author(s)

  • Charles C. Ballard
  • Eleanor Dodson
  • Phil R. Evans
  • Ronan Keegan
  • Eugene B. Krissinel
  • Kyle Stevenson
  • Robert A. Nicholls
  • Martin Noble
  • Navraj S. Pannu
  • George M. Sheldrick
  • Johan Turkenburg
  • Ville Uski
  • Frank von Delft
  • David G. Waterman
  • Martyn Winn
  • Marcin Wojdyr

Department/unit(s)

Publication details

JournalActa crystallographica. Section D, Structural biology
DateAccepted/In press - 6 Nov 2017
DateE-pub ahead of print - 1 Feb 2018
DatePublished (current) - 1 Feb 2018
Issue number2
Volume74
Pages (from-to)68-84
Early online date1/02/18
Original languageEnglish

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.

Bibliographical note

© 2018, The Authors(s).

    Research areas

  • Automation, CCP4, CCP4i2, Graphical user interfaces, Pipelines, Structure solution

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