ArticleActa crystallographica. Section D, Structural biology2023
The CCP4 suite: integrative software for macromolecular crystallography.
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Article in Acta crystallographica. Section D, Structural biology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 413 papers.
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413 citing papers in PubMed.
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94 authors.
Jon AgirreYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-1086-0253
Mihaela AtanasovaYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0003-0892-6687
Haroldas BagdonasYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0001-5028-4847
Charles B BallardSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.
Arnaud BasléBiosciences Institute, Newcastle University, Newcastle upon Tyne NE2 4HH, United Kingdom.
James Beilsten-EdmandsDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.ORCID 0000-0003-1565-5328
Rafael J BorgesThe Center of Medicinal Chemistry (CQMED), Center for Molecular Biology and Genetic Engineering (CBMEG), University of Campinas (UNICAMP), Av. Dr. André Tosello 550, 13083-886 Campinas, Brazil.ORCID 0000-0001-6049-8806
David G BrownLaboratoires Servier SAS Institut de Recherches, Croissy-sur-Seine, France.
J Javier Burgos-MármolInstitute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 7ZB, United Kingdom.ORCID 0000-0003-1861-2657
John M BerrisfordProtein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.
Paul S BondYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-8465-4823
Iracema CaballeroCrystallographic Methods, Institute of Molecular Biology of Barcelona (IBMB-CSIC), Barcelona Science Park, Helix Building, Baldiri Reixac 15, 08028 Barcelona, Spain.ORCID 0000-0001-8992-4194
Lucrezia CatapanoMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0002-5641-0098
Grzegorz ChojnowskiEuropean Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg, Germany.ORCID 0000-0002-3796-8352
Atlanta G CookThe Wellcome Centre for Cell Biology, University of Edinburgh, Michael Swann Building, Max Born Crescent, The King's Buildings, Edinburgh EH9 3BF, United Kingdom.
Kevin D CowtanYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-0189-1437
Tristan I CrollDepartment of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, United Kingdom.
Judit É DebreczeniDiscovery Sciences, R&D BioPharmaceuticals, AstraZeneca, Darwin Building, Cambridge Science Park, Milton Road, Cambridge CB4 0WG, United Kingdom.
Nicholas E DevenishDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
Eleanor J DodsonYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.
Tarik R DrevonSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.
Paul EmsleyMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.
Gwyndaf EvansDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.ORCID 0000-0002-6079-2201
Phil R EvansMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0002-8810-1337
Maria FandoSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.
James FoadiDepartment of Mathematical Sciences, University of Bath, Bath, United Kingdom.
Luis Fuentes-MonteroDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.ORCID 0000-0001-8687-7257
Elspeth F GarmanDepartment of Biochemistry, University of Oxford, Dorothy Crowfoot Hodgkin Building, Oxford OX1 3QU, United Kingdom.ORCID 0000-0001-8329-5665
Markus GerstelDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
Richard J GildeaDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.ORCID 0000-0001-5038-6958
Kaushik HattiDepartment of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, United Kingdom.
Maarten L HekkelmanOncode Institute and Department of Biochemistry, Netherlands Cancer Institute, Amsterdam, The Netherlands.ORCID 0000-0002-9081-4707
Philipp HeuserEuropean Molecular Biology Laboratory, c/o DESY, Notkestrasse 85, 22607 Hamburg, Germany.ORCID 0000-0001-6316-9311
Soon Wen HohYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.
Michael A HoughDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.ORCID 0000-0001-7377-6713
Huw T JenkinsYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-3302-6966
Elisabet JiménezCrystallographic Methods, Institute of Molecular Biology of Barcelona (IBMB-CSIC), Barcelona Science Park, Helix Building, Baldiri Reixac 15, 08028 Barcelona, Spain.ORCID 0000-0001-7521-8619
Robbie P JoostenOncode Institute and Department of Biochemistry, Netherlands Cancer Institute, Amsterdam, The Netherlands.ORCID 0000-0002-2323-2686
Ronan M KeeganSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.ORCID 0000-0002-9495-0431
Nicholas KeepDepartment of Biological Sciences, Institute of Structural and Molecular Biology, Birkbeck College, London WC1E 7HX, United Kingdom.ORCID 0000-0002-5042-1837
Eugene B KrissinelSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.ORCID 0000-0003-1267-7185
Petr KolenkoFaculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Břehová 7, 115 19 Prague 1, Czech Republic.ORCID 0000-0002-4619-9276
Oleg KovalevskiySTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.
Victor S LamzinEuropean Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg, Germany.ORCID 0000-0002-6058-7793
David M LawsonDepartment of Biochemistry and Metabolism, John Innes Centre, Norwich NR4 7UH, United Kingdom.ORCID 0000-0002-7637-4303
Andrey A LebedevSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.ORCID 0000-0003-2261-0945
Andrew G W LeslieMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0002-5229-3656
Bernhard LohkampDepartment of Medical Biochemistry and Biophysics, Karolinska Institutet, SE-171 77 Stockholm, Sweden.ORCID 0000-0002-5646-2090
Fei LongMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0002-2553-9841
Martin MalýBiological Sciences, Institute for Life Sciences, University of Southampton, Southampton SO17 1BJ, United Kingdom.
Airlie J McCoyDepartment of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, United Kingdom.
Stuart J McNicholasYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.
Ana MedinaCrystallographic Methods, Institute of Molecular Biology of Barcelona (IBMB-CSIC), Barcelona Science Park, Helix Building, Baldiri Reixac 15, 08028 Barcelona, Spain.ORCID 0000-0001-7146-8987
Claudia MillánDepartment of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, United Kingdom.ORCID 0000-0002-9283-2220
James W MurrayDepartment of Life Sciences, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.ORCID 0000-0002-8897-0161
Garib N MurshudovMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0001-6483-3587
Robert A NichollsMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0002-8577-8617
Martin E M NobleTranslational and Clinical Research Institute, Newcastle University, Paul O'Gorman Building, Medical School, Framlington Place, Newcastle upon Tyne NE2 4HH, United Kingdom.
Robert OeffnerDepartment of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, United Kingdom.ORCID 0000-0003-3107-2202
Navraj S PannuDepartment of Infectious Diseases, Leiden University Medical Center, PO Box 9600, 2300 RC Leiden, The Netherlands.
James M ParkhurstDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
Nicholas PearceDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden.
Joana PereiraBiozentrum and SIB Swiss Institute of Bioinformatics, University of Basel, 4056 Basel, Switzerland.ORCID 0000-0002-5588-6588
Anastassis PerrakisOncode Institute and Department of Biochemistry, Netherlands Cancer Institute, Amsterdam, The Netherlands.ORCID 0000-0002-1151-6227
Harold R PowellDepartment of Life Sciences, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.ORCID 0000-0003-1510-5115
Randy J ReadDepartment of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, United Kingdom.ORCID 0000-0001-8273-0047
Daniel J RigdenInstitute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 7ZB, United Kingdom.ORCID 0000-0002-7565-8937
William RochiraYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-2009-5129
Massimo SammitoDiscovery Centre, Biologics Engineering, AstraZeneca, Biomedical Campus, 1 Francis Crick Avenue, Trumpington, Cambridge CB2 0AA, United Kingdom.ORCID 0000-0002-8346-9247
Filomeno Sánchez RodríguezYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-6377-7269
George M SheldrickDepartment of Structural Chemistry, Georg-August-Universität Göttingen, Tammannstrasse 4, 37077 Göttingen, Germany.
Kathryn L ShelleyInstitute for Protein Design, University of Washington, Seattle, WA 98195, USA.
Felix SimkovicInstitute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 7ZB, United Kingdom.
Adam J SimpkinLaboratoires Servier SAS Institut de Recherches, Croissy-sur-Seine, France.
Pavol SkubakDepartment of Infectious Diseases, Leiden University Medical Center, PO Box 9600, 2300 RC Leiden, The Netherlands.ORCID 0000-0001-7254-8014
Egor SobolevEuropean Molecular Biology Laboratory, c/o DESY, Notkestrasse 85, 22607 Hamburg, Germany.ORCID 0000-0003-2478-5685
Roberto A SteinerRandall Centre for Cell and Molecular Biophysics, Faculty of Life Sciences and Medicine, King's College London, London SE1 9RT, United Kingdom.ORCID 0000-0001-7084-9745
Kyle StevensonSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.
Ivo TewsBiological Sciences, Institute for Life Sciences, University of Southampton, Southampton SO17 1BJ, United Kingdom.ORCID 0000-0002-4704-1139
Jens M H ThomasInstitute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool L69 7ZB, United Kingdom.ORCID 0000-0003-0277-8505
Andrea ThornInstitute for Nanostructure and Solid State Physics, Universität Hamburg, 22761 Hamburg, Germany.ORCID 0000-0003-4503-4258
Josep Triviño VallsCrystallographic Methods, Institute of Molecular Biology of Barcelona (IBMB-CSIC), Barcelona Science Park, Helix Building, Baldiri Reixac 15, 08028 Barcelona, Spain.
Ville UskiSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.ORCID 0000-0002-1615-4798
Isabel UsónCrystallographic Methods, Institute of Molecular Biology of Barcelona (IBMB-CSIC), Barcelona Science Park, Helix Building, Baldiri Reixac 15, 08028 Barcelona, Spain.
Alexei VaginYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.
Sameer VelankarProtein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.ORCID 0000-0002-8439-5964
Melanie VollmarProtein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.
Helen WaldenSchool of Molecular Biosciences, College of Medical Veterinary and Life Sciences, University of Glasgow, Glasgow, United Kingdom.ORCID 0000-0002-4289-4810
David WatermanSTFC, Rutherford Appleton Laboratory, Didcot OX11 0FA, United Kingdom.ORCID 0000-0002-2134-182X
Keith S WilsonYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.ORCID 0000-0002-3581-2194
Martyn D WinnScientific Computing Department, Science and Technology Facilities Council, Didcot OX11 0FA, United Kingdom.ORCID 0000-0003-0496-6796
Graeme WinterDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
Marcin WojdyrGlobal Phasing Limited (United Kingdom), Sheraton House, Castle Park, Cambridge CB3 0AX, United Kingdom.ORCID 0000-0003-3980-4092
Keitaro YamashitaMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, United Kingdom.ORCID 0000-0002-5442-7582
Funding
Biotechnology and Biological Sciences Research Council BB/F020805/1Biotechnology and Biological Sciences Research Council BB/L006383/1Biotechnology and Biological Sciences Research Council BB/P012523/1Biotechnology and Biological Sciences Research Council BB/P012574/1Biotechnology and Biological Sciences Research Council BB/S005099/1Biotechnology and Biological Sciences Research Council BB/S007040/1Biotechnology and Biological Sciences Research Council BB/S007083/1Biotechnology and Biological Sciences Research Council BB/S007105/1Biotechnology and Biological Sciences Research Council BB/T012935/1Medical Research Council MC_UP_A025_1012Wellcome TrustWellcome Trust 200898Wellcome Trust 203149Wellcome Trust 209407/Z/17/Z
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.
Indexed as
ProteinsSoftwareCrystallography, X-RayMacromolecular SubstancesMacromolecular SubstancesProteinsCCP4Collaborative Computational Project No. 4crystallography softwaremacromolecular crystallography
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