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The CCP4 suite: integrative software for macromolecular crystallography

The CCP4 suite: integrative software for macromolecular crystallography
The CCP4 suite: integrative software for macromolecular crystallography

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.

CCP4, Collaborative Computational Project No. 4, crystallography software, macromolecular crystallography
2059-7983
449-461
Agirre, Jon
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Atanasova, Mihaela
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Bagdonas, Haroldas
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Ballard, Charles B.
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Baslé, Arnaud
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Beilsten-Edmands, James
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Borges, Rafael J.
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Brown, David G.
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Burgos-Mármol, J. Javier
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Berrisford, John M.
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Bond, Paul S.
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Caballero, Iracema
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Catapano, Lucrezia
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Chojnowski, Grzegorz
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Cook, Atlanta G.
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Cowtan, Kevin D.
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Croll, Tristan I.
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Debreczeni, Judit
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Devenish, Nicholas E.
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Dodson, Eleanor J.
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Drevon, Tarik R.
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Emsley, Paul
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Evans, Gwyndaf
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Evans, Phil R.
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Fando, Maria
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Foadi, James
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Fuentes-Montero, Luis
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Garman, Elspeth F.
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Gerstel, Markus
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Gildea, Richard J.
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Hatti, Kaushik
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Hekkelman, Maarten L.
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Heuser, Philipp
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Hoh, Soon Wen
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Hough, Michael A.
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Jenkins, Huw T.
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Jiménez, Elisabet
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Joosten, Robbie P.
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Keegan, Ronan M.
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Keep, Nicholas
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Krissinel, Eugene B.
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Kolenko, Petr
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Kovalevskiy, Oleg
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Lamzin, Victor S.
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Lawson, David M.
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Lebedev, Andrey A.
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Leslie, Andrew G.W.
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Malý, Martin
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Nicholls, Robert A.
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Tews, Ivo
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et al.
Agirre, Jon
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Atanasova, Mihaela
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Bagdonas, Haroldas
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Ballard, Charles B.
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Baslé, Arnaud
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Beilsten-Edmands, James
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Borges, Rafael J.
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Brown, David G.
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Burgos-Mármol, J. Javier
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Berrisford, John M.
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Bond, Paul S.
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Caballero, Iracema
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Catapano, Lucrezia
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Chojnowski, Grzegorz
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Cook, Atlanta G.
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Cowtan, Kevin D.
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Croll, Tristan I.
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Debreczeni, Judit
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Devenish, Nicholas E.
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Dodson, Eleanor J.
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Drevon, Tarik R.
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Emsley, Paul
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Evans, Gwyndaf
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Evans, Phil R.
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Fando, Maria
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Foadi, James
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Fuentes-Montero, Luis
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Garman, Elspeth F.
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Gerstel, Markus
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Gildea, Richard J.
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Hatti, Kaushik
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Hekkelman, Maarten L.
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Heuser, Philipp
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Hoh, Soon Wen
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Hough, Michael A.
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Jenkins, Huw T.
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Jiménez, Elisabet
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Joosten, Robbie P.
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Keegan, Ronan M.
dfbaf7e5-7b4f-4827-879e-83f661634f68
Keep, Nicholas
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Krissinel, Eugene B.
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Kolenko, Petr
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Kovalevskiy, Oleg
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Lamzin, Victor S.
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Lawson, David M.
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Lebedev, Andrey A.
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Leslie, Andrew G.W.
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Malý, Martin
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Nicholls, Robert A.
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Tews, Ivo
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et al. (2023) The CCP4 suite: integrative software for macromolecular crystallography. Acta crystallographica. Section D, Structural biology, 79 (6), 449-461. (doi:10.1107/S2059798323003595).

Record type: Article

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.

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Accepted/In Press date: 19 April 2023
e-pub ahead of print date: 30 May 2023
Published date: 1 June 2023
Keywords: CCP4, Collaborative Computational Project No. 4, crystallography software, macromolecular crystallography
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Identifiers

Local EPrints ID: 488516
URI: http://eprints.soton.ac.uk/id/eprint/488516
DOI: doi:10.1107/S2059798323003595
ISSN: 2059-7983
PURE UUID: 463a88b6-c410-49f3-949f-e71083716f60
ORCID for Martin Malý: ORCID iD orcid.org/0000-0002-6081-9291
ORCID for Robert A. Nicholls: ORCID iD orcid.org/0000-0002-9715-1109
ORCID for Ivo Tews: ORCID iD orcid.org/0000-0002-4704-1139

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Date deposited: 26 Mar 2024 17:38
Last modified: 16 Apr 2024 02:05

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Contributors

Author: Jon Agirre
Author: Mihaela Atanasova
Author: Haroldas Bagdonas
Author: Charles B. Ballard
Author: Arnaud Baslé
Author: James Beilsten-Edmands
Author: Rafael J. Borges
Author: David G. Brown
Author: J. Javier Burgos-Mármol
Author: John M. Berrisford
Author: Paul S. Bond
Author: Iracema Caballero
Author: Lucrezia Catapano
Author: Grzegorz Chojnowski
Author: Atlanta G. Cook
Author: Kevin D. Cowtan
Author: Tristan I. Croll
Author: Judit Debreczeni
Author: Nicholas E. Devenish
Author: Eleanor J. Dodson
Author: Tarik R. Drevon
Author: Paul Emsley
Author: Gwyndaf Evans
Author: Phil R. Evans
Author: Maria Fando
Author: James Foadi
Author: Luis Fuentes-Montero
Author: Elspeth F. Garman
Author: Markus Gerstel
Author: Richard J. Gildea
Author: Kaushik Hatti
Author: Maarten L. Hekkelman
Author: Philipp Heuser
Author: Soon Wen Hoh
Author: Michael A. Hough
Author: Huw T. Jenkins
Author: Elisabet Jiménez
Author: Robbie P. Joosten
Author: Ronan M. Keegan
Author: Nicholas Keep
Author: Eugene B. Krissinel
Author: Petr Kolenko
Author: Oleg Kovalevskiy
Author: Victor S. Lamzin
Author: David M. Lawson
Author: Andrey A. Lebedev
Author: Andrew G.W. Leslie
Author: Martin Malý ORCID iD
Author: Robert A. Nicholls ORCID iD
Author: Ivo Tews ORCID iD
Corporate Author: et al.

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