The CCP4 suite : integrative software for macromolecular crystallography

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.

Metadata

Item Type:	Article
Authors/Creators:	Agirre, Jon https://orcid.org/0000-0002-1086-0253 Atanasova, Mihaela Bagdonas, Haroldas Ballard, Charles B Baslé, Arnaud Beilsten-Edmands, James Borges, Rafael J Brown, David G Burgos-Mármol, J Javier Berrisford, John M Bond, Paul S https://orcid.org/0000-0002-8465-4823 Caballero, Iracema Catapano, Lucrezia Chojnowski, Grzegorz Cook, Atlanta G Cowtan, Kevin D https://orcid.org/0000-0002-0189-1437 Croll, Tristan I Debreczeni, Judit É Devenish, Nicholas E Dodson, Eleanor J Drevon, Tarik R Emsley, Paul Evans, Gwyndaf Evans, Phil R Fando, Maria Foadi, James Fuentes-Montero, Luis Garman, Elspeth F Gerstel, Markus Gildea, Richard J Hatti, Kaushik Hekkelman, Maarten L Heuser, Philipp Hoh, Soon Wen https://orcid.org/0000-0003-1039-8000 Hough, Michael A Jenkins, Huw T https://orcid.org/0000-0002-3302-6966 Jiménez, Elisabet Joosten, Robbie P Keegan, Ronan M Keep, Nicholas Krissinel, Eugene B Kolenko, Petr Kovalevskiy, Oleg (ovk500@york.ac.uk) Lamzin, Victor S Lawson, David M Lebedev, Andrey A (aal104@york.ac.uk) Leslie, Andrew G W Lohkamp, Bernhard Long, Fei (fl8@york.ac.uk) Malý, Martin McCoy, Airlie J McNicholas, Stuart J (stuart.mcnicholas@york.ac.uk) Medina, Ana Millán, Claudia Murray, James W Murshudov, Garib N (gnm1@york.ac.uk) Nicholls, Robert A Noble, Martin E M Oeffner, Robert Pannu, Navraj S Parkhurst, James M Pearce, Nicholas Pereira, Joana Perrakis, Anastassis Powell, Harold R Read, Randy J Rigden, Daniel J Rochira, William Sammito, Massimo Sánchez Rodríguez, Filomeno (filomeno.sanchezrodriguez@york.ac.uk) Sheldrick, George M Shelley, Kathryn L Simkovic, Felix Simpkin, Adam J Skubak, Pavol (ps546@york.ac.uk) Sobolev, Egor Steiner, Roberto A Stevenson, Kyle Tews, Ivo Thomas, Jens M H Thorn, Andrea Valls, Josep Triviño Uski, Ville Usón, Isabel Vagin, Alexei Velankar, Sameer Vollmar, Melanie Walden, Helen Waterman, David Wilson, Keith S https://orcid.org/0000-0002-3581-2194 Winn, Martyn D Winter, Graeme Wojdyr, Marcin Yamashita, Keitaro
Keywords:	Proteins/chemistry, Crystallography, X-Ray, Software, Macromolecular Substances
Dates:	Accepted: 19 April 2023 Published: 1 June 2023
Institution:	The University of York
Academic Units:	The University of York > Faculty of Sciences (York) > Chemistry (York) The University of York > Faculty of Sciences (York) > Electronic Engineering (York)
Depositing User:	Pure (York)
Date Deposited:	07 Jun 2023 08:40
Last Modified:	22 Feb 2024 16:00
Published Version:	https://doi.org/10.1107/S2059798323003595
Status:	Published
Refereed:	Yes
Identification Number:	https://doi.org/10.1107/S2059798323003595

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The CCP4 suite : integrative software for macromolecular crystallography

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