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The CCP 4 suite: integrative software for macromolecular crystallography

DOI: 10.1107/S2059798323003595 DOI Help

Authors: Jon Agirre (University of York) , Mihaela Atanasova (University of York) , Haroldas Bagdonas (University of York, York) , Charles B. Ballard (STFC; CCP4, Research Complex at Harwell) , Arnaud Basle (Newcastle University) , James Beilsten-Edmands (Diamond Light Source) , Rafael J. Borges (University of Campinas (UNICAMP)) , David G. Brown (Laboratoires Servier SAS Institut de Recherches) , J. Javier Burgos-Marmol (University of Liverpool) , John M. Berrisford (European Bioinformatics Institute (EMBL–EBI)) , Paul S. Bond (University of York) , Iracema Caballero (Institute of Molecular Biology of Barcelona (IBMB–CSIC)) , Lucrezia Catapano (MRC Laboratory of Molecular Biology; King's College London) , Grzegorz Chojnowski (European Molecular Biology Laboratory) , Atlanta G. Cook (University of Edinburgh) , Kevin D. Cowtan (University of York) , Tristan I. Croll (University of Cambridge; Altos Labs) , Judit É. Debreczeni (AstraZeneca) , Nicholas E. Devenish (Diamond Light Source) , Eleanor J. Dodson (University of York) , Tarik R. Drevon (STFC; CCP4, Research Complex at Harwel) , Paul Emsley (MRC Laboratory of Molecular Biology) , Gwyndaf Evans (Diamond Light Source; Rosalind Franklin Institute) , Phil R. Evans (University of York) , Maria Fando (STFC; CCP4, Research Complex at Harwell) , James Foadi (University of Bath) , Luis Fuentes-Montero (Diamond Light Source) , Elspeth F. Garman (University of Oxford) , Markus Gerstel (Diamond Light Source) , Richard J. Gildea (Diamond Light Source) , Kaushik Hatti (University of Cambridge) , Maarten L. Hekkelman (Netherlands Cancer Institute) , Philipp Heuser (European Molecular Biology Laboratory) , Soon Wen Hoh (University of York) , Michael A. Hough (Diamond Light Source; University of Essex) , Huw T. Jenkins (University of York) , Elisabet Jiménez (Institute of Molecular Biology of Barcelona (IBMB–CSIC)) , Robbie P. Joosten (Netherlands Cancer Institute) , Ronan M. Keegan (STFC; CCP4, Research Complex at Harwell; University of Liverpool) , Nicholas Keep (Birkbeck College, London) , Eugene B. Krissinel (STFC; CCP4, Research Complex at Harwell) , Petr Kolenko (Czech Technical University in Prague; Institute of Biotechnology of the Czech Academy of Sciences) , Oleg Kovalevskiy (STFC; CCP4, Research Complex at Harwell) , Victor S. Lamzin (European Molecular Biology Laboratory) , David M. Lawson (John Innes Centre) , Andrey Lebedev (STFC; CCP4, Research Complex at Harwell) , Andrew G. W. Leslie (MRC Laboratory of Molecular Biology) , Bernhard Lohkamp (Karolinska Institutet) , Fei Long (MRC Laboratory of Molecular Biology) , Martin Maly (Czech Technical University in Prague; Institute of Biotechnology of the Czech Academy of Sciences; University of Southampton) , Airlie Mccoy (University of Cambridge) , Stuart J. Mcnicholas (University of York) , Ana Medina (Institute of Molecular Biology of Barcelona (IBMB–CSIC)) , Claudia Millán (University of Cambridge) , James W. Murray (Imperial College London) , Garib N. Murshudov (MRC Laboratory of Molecular Biology) , Robert A. Nicholls (MRC Laboratory of Molecular Biology) , Martin E. M. Noble (Newcastle University) , Robert Oeffner (University of Cambridge) , Navraj S. Pannu (Leiden University Medical Center) , James M. Parkhurst (Diamond Light Source; Rosalind Franklin Institute) , Nicholas Pearce (Linköping University) , Joana Pereira (University of Basel) , Anastassis Perrakis (Netherlands Cancer Institute) , Harold R. Powell (Imperial College London) , Randy J. Read (University of Cambridge) , Daniel J. Rigden (University of Liverpool) , William Rochira (University of York) , Massimo Sammito (University of Cambridge; AstraZeneca) , Filomeno Sanchez Rodriguez (University of York; University of Liverpool; Diamond Light Source) , George M. Sheldrick (Georg-August-Universität Göttingen) , Kathryn L. Shelley (University of Washington) , Felix Simkovic (University of Liverpool) , Adam J. Simpkin (SAS Institut de Recherches) , Pavol Skubak (Leiden University Medical Center) , Egor Sobolev (European Molecular Biology Laboratory) , Roberto A. Steiner (King's College London; University of Padova) , Kyle Stevenson (STFC) , Ivo Tews (University of Southampton) , Jens M. H. Thomas (University of Liverpool) , Andrea Thorn (Universität Hamburg) , Josep Triviño Valls (Institute of Molecular Biology of Barcelona (IBMB–CSIC)) , Ville Uski (STFC; CCP4, Research Complex at Harwell) , Isabel Uson (Institute of Molecular Biology of Barcelona (IBMB–CSIC); ICREA, Institució Catalana de Recerca i Estudis Avançats) , Alexei Vagin (University of York) , Sameer Velankar (European Bioinformatics Institute (EMBL–EBI)) , Melanie Vollmar (European Bioinformatics Institute (EMBL–EBI)) , Helen Walden (University of Glasgow) , David Waterman (STFC; CCP4, Research Complex at Harwell) , Keith S. Wilson (University of York) , Martyn Winn (STFC) , Graeme Winter (Diamond Light Source) , Marcin Wojdyr (Global Phasing Limited (United Kingdom)) , Keitaro Yamashita (MRC Laboratory of Molecular Biology)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Acta Crystallographica Section D Structural Biology , VOL 79 , PAGES 449 - 461

State: Published (Approved)
Published: June 2023

Open Access Open Access

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.

Journal Keywords: Collaborative Computational Project No. 4; CCP4; crystallography software; macromolecular crystallography

Subject Areas: Information and Communication Technology, Biology and Bio-materials

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Added On: 05/06/2023 09:46


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Computing & software technologies Information & Communication Technologies Structural biology Life Sciences & Biotech

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