The CCP4 suite: integrative software for macromolecular crystallography

The Collaborative Computational Project No. 4 (CCP4)

doi:10.1107/S2059798323003595

The CCP4 suite: integrative software for macromolecular crystallography

The Collaborative Computational Project No. 4 (CCP4)

School of Biological Sciences

Research output: Contribution to journal › Article › peer-review

Abstract / Description of output

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 language	English
Pages (from-to)	449-461
Number of pages	13
Journal	Acta crystallographica. Section D, Structural biology
Volume	79
DOIs	https://doi.org/10.1107/S2059798323003595
Publication status	Published - 1 Jun 2023

Keywords / Materials (for Non-textual outputs)

CCP4
collaborative computational Project No. 4
crystallography software
macromolecular crystallography

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10.1107/S2059798323003595Licence: Creative Commons: Attribution (CC-BY)

YamashitaEtalSBTheCCP4SuiteIntegrativeSoftwareFinal published version, 1.04 MBLicence: Creative Commons: Attribution (CC-BY)

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@article{efe34ca004694b2e9e552fbe71f4c551,

title = "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.",

keywords = "CCP4, collaborative computational Project No. 4, crystallography software, macromolecular crystallography",

author = "{The Collaborative Computational Project No. 4 (CCP4)} and Jon Agirre and Mihaela Atanasova and Haroldas Bagdonas and Ballard, {Charles B.} and Arnaud Basl{\'e} and James Beilsten-Edmands and Borges, {Rafael J.} and Brown, {David G.} and Burgos-M{\'a}rmol, {J. Javier} and Berrisford, {John M.} and Bond, {Paul S.} and Iracema Caballero and Lucrezia Catapano and Grzegorz Chojnowski and Cook, {Atlanta G.} and Cowtan, {Kevin D.} and Croll, {Tristan I.} and Judit Debreczeni and Devenish, {Nicholas E.} and Dodson, {Eleanor J.} and Drevon, {Tarik R.} and Paul Emsley and Gwyndaf Evans and Evans, {Phil R.} and Maria Fando and James Foadi and Luis Fuentes-Montero and Garman, {Elspeth F.} and Markus Gerstel and Gildea, {Richard J.} and Kaushik Hatti and Hekkelman, {Maarten L.} and Philipp Heuser and Hoh, {Soon Wen} and Hough, {Michael A.} and Jenkins, {Huw T.} and Elisabet Jim{\'e}nez and Joosten, {Robbie P.} and Keegan, {Ronan M.} and Nicholas Keep and Krissinel, {Eugene B.} and Petr Kolenko and Oleg Kovalevskiy and Lamzin, {Victor S.} and Lawson, {David M.} and Lebedev, {Andrey A.} and Leslie, {Andrew G.W.} and Bernhard Lohkamp and Fei Long and Martin Mal{\'y} and McCoy, {Airlie J.} and McNicholas, {Stuart J.} and Ana Medina and Claudia Mill{\'a}n and Murray, {James W.} and Murshudov, {Garib N.} and Nicholls, {Robert A.} and Noble, {Martin E.M.} and Robert Oeffner and Pannu, {Navraj S.} and Parkhurst, {James M.} and Nicholas Pearce and Joana Pereira and Anastassis Perrakis and Powell, {Harold R.} and Read, {Randy J.} and Rigden, {Daniel J.} and William Rochira and Massimo Sammito and {S{\'a}nchez Rodr{\'i}guez}, Filomeno and Sheldrick, {George M.} and Shelley, {Kathryn L.} and Felix Simkovic and Simpkin, {Adam J.} and Pavol Skubak and Egor Sobolev and Steiner, {Roberto A.} and Kyle Stevenson and Ivo Tews and Thomas, {Jens M.H.} and Andrea Thorn and Valls, {Josep Trivi{\~n}o} and Ville Uski and Isabel Us{\'o}n and Alexei Vagin and Sameer Velankar and Melanie Vollmar and Helen Walden and David Waterman and Wilson, {Keith S.} and Winn, {Martyn D.} and Graeme Winter and Marcin Wojdyr and Keitaro Yamashita",

note = "Publisher Copyright: open access.",

year = "2023",

month = jun,

day = "1",

doi = "10.1107/S2059798323003595",

language = "English",

volume = "79",

pages = "449--461",

journal = "Acta crystallographica. Section D, Structural biology",

issn = "2059-7983",

publisher = "Wiley",

}

TY - JOUR

T1 - The CCP4 suite

T2 - integrative software for macromolecular crystallography

AU - The Collaborative Computational Project No. 4 (CCP4)

AU - Agirre, Jon

AU - Atanasova, Mihaela

AU - Bagdonas, Haroldas

AU - Ballard, Charles B.

AU - Baslé, Arnaud

AU - Beilsten-Edmands, James

AU - Borges, Rafael J.

AU - Brown, David G.

AU - Burgos-Mármol, J. Javier

AU - Berrisford, John M.

AU - Bond, Paul S.

AU - Caballero, Iracema

AU - Catapano, Lucrezia

AU - Chojnowski, Grzegorz

AU - Cook, Atlanta G.

AU - Cowtan, Kevin D.

AU - Croll, Tristan I.

AU - Debreczeni, Judit

AU - Devenish, Nicholas E.

AU - Dodson, Eleanor J.

AU - Drevon, Tarik R.

AU - Emsley, Paul

AU - Evans, Gwyndaf

AU - Evans, Phil R.

AU - Fando, Maria

AU - Foadi, James

AU - Fuentes-Montero, Luis

AU - Garman, Elspeth F.

AU - Gerstel, Markus

AU - Gildea, Richard J.

AU - Hatti, Kaushik

AU - Hekkelman, Maarten L.

AU - Heuser, Philipp

AU - Hoh, Soon Wen

AU - Hough, Michael A.

AU - Jenkins, Huw T.

AU - Jiménez, Elisabet

AU - Joosten, Robbie P.

AU - Keegan, Ronan M.

AU - Keep, Nicholas

AU - Krissinel, Eugene B.

AU - Kolenko, Petr

AU - Kovalevskiy, Oleg

AU - Lamzin, Victor S.

AU - Lawson, David M.

AU - Lebedev, Andrey A.

AU - Leslie, Andrew G.W.

AU - Lohkamp, Bernhard

AU - Long, Fei

AU - Malý, Martin

AU - McCoy, Airlie J.

AU - McNicholas, Stuart J.

AU - Medina, Ana

AU - Millán, Claudia

AU - Murray, James W.

AU - Murshudov, Garib N.

AU - Nicholls, Robert A.

AU - Noble, Martin E.M.

AU - Oeffner, Robert

AU - Pannu, Navraj S.

AU - Parkhurst, James M.

AU - Pearce, Nicholas

AU - Pereira, Joana

AU - Perrakis, Anastassis

AU - Powell, Harold R.

AU - Read, Randy J.

AU - Rigden, Daniel J.

AU - Rochira, William

AU - Sammito, Massimo

AU - Sánchez Rodríguez, Filomeno

AU - Sheldrick, George M.

AU - Shelley, Kathryn L.

AU - Simkovic, Felix

AU - Simpkin, Adam J.

AU - Skubak, Pavol

AU - Sobolev, Egor

AU - Steiner, Roberto A.

AU - Stevenson, Kyle

AU - Tews, Ivo

AU - Thomas, Jens M.H.

AU - Thorn, Andrea

AU - Valls, Josep Triviño

AU - Uski, Ville

AU - Usón, Isabel

AU - Vagin, Alexei

AU - Velankar, Sameer

AU - Vollmar, Melanie

AU - Walden, Helen

AU - Waterman, David

AU - Wilson, Keith S.

AU - Winn, Martyn D.

AU - Winter, Graeme

AU - Wojdyr, Marcin

AU - Yamashita, Keitaro

N1 - Publisher Copyright: open access.

PY - 2023/6/1

Y1 - 2023/6/1

N2 - 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.

AB - 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.

KW - CCP4

KW - collaborative computational Project No. 4

KW - crystallography software

KW - macromolecular crystallography

U2 - 10.1107/S2059798323003595

DO - 10.1107/S2059798323003595

M3 - Article

C2 - 37259835

AN - SCOPUS:85160708298

SN - 2059-7983

VL - 79

SP - 449

EP - 461

JO - Acta crystallographica. Section D, Structural biology

JF - Acta crystallographica. Section D, Structural biology

ER -

The CCP4 suite: integrative software for macromolecular crystallography

Abstract / Description of output

Keywords / Materials (for Non-textual outputs)

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