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The CCP 4 suite: integrative software for macromolecular crystallography

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Agirre, Jon, 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., Caballero, Iracema, Catapano, Lucrezia, Chojnowski, Grzegorz, Cook, Atlanta G., Cowtan, Kevin D., 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, Hough, Michael A., Jenkins, Huw T., Jiménez, Elisabet, Joosten, Robbie P., Keegan, Ronan M., Keep, Nicholas, Krissinel, Eugene B., Kolenko, Petr, Kovalevskiy, Oleg, Lamzin, Victor S., Lawson, David M., Lebedev, Andrey A., Leslie, Andrew G. W., Lohkamp, Bernhard, Long, Fei, Malý, Martin, McCoy, Airlie J., McNicholas, Stuart J., Medina, Ana, Millán, Claudia, Murray, James W., Murshudov, Garib N., 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, Sheldrick, George M., Shelley, Kathryn L., Simkovic, Felix, Simpkin, Adam J., Skubak, Pavol, 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., Winn, Martyn D., Winter, Graeme, Wojdyr, Marcin, Yamashita, Keitaro·2023·Acta Crystallographica Section D Structural Biology
DOI 10.1107/s2059798323003595
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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 CCP 4 suite is a multiplatform collection of programs brought together by familiar execution routines, a set of common libraries and graphical interfaces. The CCP 4 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 CCP 4 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.

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Metadata

Authors
Agirre, J., Atanasova, M., Bagdonas, H., Ballard, C. B., Baslé, A., Beilsten-Edmands, J., Borges, R. J., Brown, D. G., Burgos-Mármol, J. J., Berrisford, J. M., Bond, P. S., Caballero, I., Catapano, L., Chojnowski, G., Cook, A. G., Cowtan, K. D., Croll, T. I., Debreczeni, J. É., Devenish, N. E., Dodson, E. J., Drevon, T. R., Emsley, P., Evans, G., Evans, P. R., Fando, M., Foadi, J., Fuentes-Montero, L., Garman, E. F., Gerstel, M., Gildea, R. J., Hatti, K., Hekkelman, M. L., Heuser, P., Hoh, S. W., Hough, M. A., Jenkins, H. T., Jiménez, E., Joosten, R. P., Keegan, R. M., Keep, N., Krissinel, E. B., Kolenko, P., Kovalevskiy, O., Lamzin, V. S., Lawson, D. M., Lebedev, A. A., Leslie, A. G. W., Lohkamp, B., Long, F., Malý, M., McCoy, A. J., McNicholas, S. J., Medina, A., Millán, C., Murray, J. W., Murshudov, G. N., Nicholls, R. A., Noble, M. E. M., Oeffner, R., Pannu, N. S., Parkhurst, J. M., Pearce, N., Pereira, J., Perrakis, A., Powell, H. R., Read, R. J., Rigden, D. J., Rochira, W., Sammito, M., Sánchez Rodríguez, F., Sheldrick, G. M., Shelley, K. L., Simkovic, F., Simpkin, A. J., Skubak, P., Sobolev, E., Steiner, R. A., Stevenson, K., Tews, I., Thomas, J. M. H., Thorn, A., Valls, J. T., Uski, V., Usón, I., Vagin, A., Velankar, S., Vollmar, M., Walden, H., Waterman, D., Wilson, K. S., Winn, M. D., Winter, G., Wojdyr, M., & Yamashita, K.
Venue
Acta Crystallographica Section D Structural Biology
Publisher
International Union of Crystallography (IUCr)
Published
2023-05-30
Volume
79
Issue
6
Pages
449-461
ISSN
2059-7983 (ISSN-L)
DOI
10.1107/s2059798323003595
OpenAlex
W4378952892
Cited by
909
References
10
FWCI
63.89
Type
journal article
Language
en
Open access
hybrid
Licence
Funders
  • Royal Society (UF160039, URF\R\221006), RGF/R1/181006)
  • Engineering and Physical Sciences Research Council (EP/R513386/1, EP/G037280/1)
  • Biotechnology and Biological Sciences Research Council (BB/S007105/1, BB/S007083/1, BB/T012935/1, BB/S005099/1, BB/S007040/1, BB/P012523/1, BB/P012574/1)
  • Horizon 2020 Framework Programme (871037, 653706, 675858, 824087)
  • Medical Research Council (MC_UP_A025_1012)
  • European Molecular Biology Laboratory
  • Bundesministerium für Bildung und Forschung (05K19WWA, 05K22GU5)
  • Deutsche Forschungsgemeinschaft (TH2135/2-1)
  • Ministerstvo Školství, Mládeže a Tělovýchovy (CZ.02.1.01/0.0/0.0/16_019/0000778)
  • Akademie Věd České Republiky (CZ.02.1.01/0.0/0.0/16_019/0000778)
  • Science and Technology Facilities Council (CZ.02.1.01/0.0/0.0/16_019/0000778, 7920 S2 2020 007)
  • Nederlandse Organisatie voor Wetenschappelijk Onderzoek (722.011.011, 723.013.003, VI.Veni.192.143)
  • Wellcome Trust (209407/Z/17/Z, 200898, 203149)
  • Ministerio de Ciencia e Innovación (PID2021-128751NB-I00)
  • Science for Life Laboratory (KAW 2020.0239)
  • European Molecular Biology Organization (ALTF 609-2017)
  • Röntgen-Ångström Cluster (349-2013-597)

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CoChat. (2026). Citation check: The CCP 4 suite: integrative software for macromolecular crystallography. https://app.cochat.ai/papers/10.1107/s2059798323003595
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Agirre, J., Atanasova, M., Bagdonas, H., Ballard, C. B., Baslé, A., Beilsten-Edmands, J., Borges, R. J., Brown, D. G., Burgos-Mármol, J. J., Berrisford, J. M., Bond, P. S., Caballero, I., Catapano, L., Chojnowski, G., Cook, A. G., Cowtan, K. D., Croll, T. I., Debreczeni, J. É., Devenish, N. E., . . . Yamashita, K. (2023). The CCP 4 suite: integrative software for macromolecular crystallography. Acta Crystallographica Section D Structural Biology. https://doi.org/10.1107/s2059798323003595

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