The CCP4 suite: integrative software for macromolecular crystallography

Author:

Agirre JonORCID,Atanasova MihaelaORCID,Bagdonas HaroldasORCID,Ballard Charles B.,Baslé Arnaud,Beilsten-Edmands JamesORCID,Borges Rafael J.ORCID,Brown David G.,Burgos-Mármol J. JavierORCID,Berrisford John M.,Bond Paul S.ORCID,Caballero IracemaORCID,Catapano LucreziaORCID,Chojnowski GrzegorzORCID,Cook Atlanta G.,Cowtan Kevin D.ORCID,Croll Tristan I.,Debreczeni Judit É.,Devenish Nicholas E.,Dodson Eleanor J.ORCID,Drevon Tarik R.,Emsley Paul,Evans GwyndafORCID,Evans Phil R.ORCID,Fando Maria,Foadi James,Fuentes-Montero LuisORCID,Garman Elspeth F.ORCID,Gerstel Markus,Gildea Richard J.ORCID,Hatti Kaushik,Hekkelman Maarten L.ORCID,Heuser PhilippORCID,Hoh Soon Wen,Hough Michael A.ORCID,Jenkins Huw T.ORCID,Jiménez ElisabetORCID,Joosten Robbie P.ORCID,Keegan Ronan M.ORCID,Keep NicholasORCID,Krissinel Eugene B.ORCID,Kolenko PetrORCID,Kovalevskiy Oleg,Lamzin Victor S.ORCID,Lawson David M.ORCID,Lebedev Andrey A.ORCID,Leslie Andrew G. W.ORCID,Lohkamp BernhardORCID,Long FeiORCID,Malý MartinORCID,McCoy Airlie J.,McNicholas Stuart J.,Medina AnaORCID,Millán ClaudiaORCID,Murray James W.ORCID,Murshudov Garib N.ORCID,Nicholls Robert A.ORCID,Noble Martin E. M.,Oeffner RobertORCID,Pannu Navraj S.,Parkhurst James M.,Pearce Nicholas,Pereira JoanaORCID,Perrakis AnastassisORCID,Powell Harold R.ORCID,Read Randy J.ORCID,Rigden Daniel J.ORCID,Rochira WilliamORCID,Sammito MassimoORCID,Sánchez Rodríguez FilomenoORCID,Sheldrick George M.,Shelley Kathryn L.,Simkovic Felix,Simpkin Adam J.,Skubak PavolORCID,Sobolev EgorORCID,Steiner Roberto A.ORCID,Stevenson Kyle,Tews IvoORCID,Thomas Jens M. H.ORCID,Thorn AndreaORCID,Valls Josep Triviño,Uski VilleORCID,Usón Isabel,Vagin Alexei,Velankar SameerORCID,Vollmar Melanie,Walden HelenORCID,Waterman DavidORCID,Wilson Keith S.ORCID,Winn Martyn D.ORCID,Winter Graeme,Wojdyr MarcinORCID,Yamashita KeitaroORCID

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.

Funder

Royal Society

Engineering and Physical Sciences Research Council

Biotechnology and Biological Sciences Research Council

Horizon 2020 Framework Programme

Medical Research Council

European Molecular Biology Laboratory

Bundesministerium für Bildung und Forschung

Deutsche Forschungsgemeinschaft

Ministerstvo Školství, Mládeže a Tělovýchovy

Akademie Věd České Republiky

Science and Technology Facilities Council

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Wellcome Trust

Ministerio de Ciencia e Innovación

Science for Life Laboratory

European Molecular Biology Organization

Röntgen-Ångström Cluster

Publisher

International Union of Crystallography (IUCr)

Subject

Structural Biology

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