The CCP4 suite: integrative software for macromolecular crystallography

Jon Agirre*, Mihaela Atanasova, Haroldas Bagdonas, Charles B Ballard, Arnaud Baslé, James Beilsten-Edmands, Rafael J Borges, David G Brown, J Javier Burgos-Mármol, John M Berrisford, Paul S Bond, Iracema Caballero, Lucrezia Catapano, Grzegorz Chojnowski, Atlanta G Cook, Kevin D Cowtan, Tristan I Croll, Judit É Debreczeni, Nicholas E Devenish, Eleanor J DodsonTarik R Drevon, Paul Emsley, Gwyndaf Evans, Phil R Evans, Maria Fando, James Foadi, Luis Fuentes-Montero, Elspeth F Garman, Markus Gerstel, Richard J Gildea, Kaushik Hatti, Maarten L Hekkelman, Philipp Heuser, Soon Wen Hoh, Michael A Hough, Huw T Jenkins, Elisabet Jiménez, Robbie P Joosten, Ronan M Keegan, Nicholas Keep, Eugene B Krissinel, Petr Kolenko, Oleg Kovalevskiy, Victor S Lamzin, David M Lawson, Andrey A Lebedev, Andrew G W Leslie, Bernhard Lohkamp, Fei Long, Martin Malý, Airlie J McCoy, Stuart J McNicholas, Ana Medina, Claudia Millán, James W Murray, Garib N Murshudov, Robert A Nicholls, Martin E M Noble, Robert Oeffner, Navraj S Pannu, James M Parkhurst, Nicholas Pearce, Joana Pereira, Anastassis Perrakis, Harold R Powell, Randy J Read, Daniel J Rigden, William Rochira, Massimo Sammito, Filomeno Sánchez Rodríguez, George M Sheldrick, Kathryn L Shelley, Felix Simkovic, Adam J Simpkin, Pavol Skubak, Egor Sobolev, Roberto A Steiner, Kyle Stevenson, Ivo Tews, Jens M H Thomas, Andrea Thorn, Josep Triviño Valls, Ville Uski, Isabel Usón, Alexei Vagin, Sameer Velankar, Melanie Vollmar, Helen Walden, David Waterman, Keith S Wilson, Martyn D Winn, Graeme Winter, Marcin Wojdyr, Keitaro Yamashita

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective with a mission to develop, test, distribute and promote software for macromolecular crystallography. The CCP4 suite is a multiplatform collection of programs brought together by familiar execution routines, a set of common libraries and graphical interfaces. The CCP4 suite has experienced several considerable changes since its last reference article, involving new infrastructure, original programs and graphical interfaces. This article, which is intended as a general literature citation for the use of the CCP4 software suite in structure determination, will guide the reader through such transformations, offering a general overview of the new features and outlining future developments. As such, it aims to highlight the individual programs that comprise the suite and to provide the latest references to them for perusal by crystallographers around the world.

Original languageEnglish
Pages (from-to)449-461
Number of pages13
JournalActa crystallographica. Section D, Structural biology
Volume79
Issue numberPt 6
DOIs
Publication statusPublished - 1 Jun 2023

Keywords

  • Proteins/chemistry
  • Crystallography, X-Ray
  • Software
  • Macromolecular Substances

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