The University of Southampton
×
Filter your search:
University of Southampton Institutional Repository

The CCP4 suite: integrative software for macromolecular crystallography

The CCP4 suite: integrative software for macromolecular crystallography
The CCP4 suite: integrative software for macromolecular crystallography

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.

CCP4, Collaborative Computational Project No. 4, crystallography software, macromolecular crystallography
2059-7983
449-461
Agirre, Jon
50cc0066-d5c2-49c8-a86e-06fc0177b261
Atanasova, Mihaela
1a98e311-5b44-4b72-857f-639c25baa549
Bagdonas, Haroldas
9e96e014-e065-4721-a708-45541eeec174
Ballard, Charles B.
d775072b-afd8-4c1b-a97e-16543ddc9b2e
Baslé, Arnaud
73397e8c-9ea9-4426-bd78-8df9205a8803
Beilsten-Edmands, James
5377ebc3-f8b1-40a5-bba2-3244899bad28
Borges, Rafael J.
e0584a11-2660-4897-a4e9-adf88deb8dbf
Brown, David G.
740a5b3a-cc48-40b8-8b65-bb814ea71fa5
Burgos-Mármol, J. Javier
2b6927c2-b937-4cfe-8462-d038dbd47fd4
Berrisford, John M.
7423915f-fce1-444c-b0e8-3995577d710c
Bond, Paul S.
878e1abe-7642-43bd-97ef-2b45584d7287
Caballero, Iracema
a9494284-f05c-40c4-8b0a-f7acce08512e
Catapano, Lucrezia
61b596be-0891-4595-89e3-78367abed231
Chojnowski, Grzegorz
fffa7587-e365-4067-9891-7f304bb61293
Cook, Atlanta G.
83f8b07b-d627-48b8-9616-62302359fdd8
Cowtan, Kevin D.
8bdf3894-3e29-41b5-b0b5-042217ca4589
Croll, Tristan I.
b10fe1f6-ad4b-4bae-8083-2c68f2f9cf6e
Debreczeni, Judit
f0527ed7-0b2c-4c8a-9076-214f84dbd5f9
Devenish, Nicholas E.
59d7608b-5d71-4c72-85de-758a2ccc3192
Dodson, Eleanor J.
467e8246-32ab-4b30-bb3a-09a651a8cb32
Drevon, Tarik R.
2e5251ee-9b98-467f-88c7-b78cfe648034
Emsley, Paul
4eaa0012-7fa6-43e7-82a1-0049231a8d1f
Evans, Gwyndaf
46cb660a-bce7-4c62-8afc-de2a197ed02c
Evans, Phil R.
f51d76a2-f27d-460d-9dac-dd3cd869e0da
Fando, Maria
40e64ca7-63d7-41c5-8873-312a09be6aa8
Foadi, James
7f2d3017-3999-467f-9cfd-21114d39c267
Fuentes-Montero, Luis
fba95425-3d96-4992-8a9f-4ebe11a163c0
Garman, Elspeth F.
0b5485e4-1cd9-4b8a-89c7-54274e74e52d
Gerstel, Markus
58735575-ea27-4729-941e-fd658eb54f48
Gildea, Richard J.
4a9ce513-22ec-4f5c-a5a4-bb5dc6ed204b
Hatti, Kaushik
0a26ca51-9979-4b9d-84b8-0f22d23bec75
Hekkelman, Maarten L.
ebfa6060-e227-45bc-9b5d-6304b26421ad
Heuser, Philipp
f719792b-2031-4ae9-8697-89f9bfd83732
Hoh, Soon Wen
443767cf-f95f-4a5f-99e0-f9d4a102e16e
Hough, Michael A.
d15335d7-f023-4c6f-a306-e2f270e6a2ae
Jenkins, Huw T.
5939029f-1131-4cbb-a1da-c5e64701906e
Jiménez, Elisabet
38da8bb8-9364-4dda-8dec-30328c04b57c
Joosten, Robbie P.
32f74171-237e-417b-913c-973a6aacc39f
Keegan, Ronan M.
dfbaf7e5-7b4f-4827-879e-83f661634f68
Keep, Nicholas
30c85ce0-59f8-4ebc-93db-6f961c716557
Krissinel, Eugene B.
109a762b-ffa0-4071-b0f5-2e036c5f3959
Kolenko, Petr
10c7325c-4ddb-4eba-b238-586f5ab898e7
Kovalevskiy, Oleg
9e624ab5-be60-4087-88d3-322bbedf96d1
Lamzin, Victor S.
b32d6c78-b5f3-4daf-aa0c-6e4bd9686b84
Lawson, David M.
c2b156fa-7398-4465-ba91-e993937b8f40
Lebedev, Andrey A.
adf75275-dc70-48b9-89c6-4bde189a1908
Leslie, Andrew G.W.
e8847f3c-8236-4736-a480-91dc6b059c82
Malý, Martin
6da95b42-478a-4353-b78b-ba4b2ce93849
Nicholls, Robert A.
4ce1e355-cc5d-4702-8124-820932c57076
Tews, Ivo
9117fc5e-d01c-4f8d-a734-5b14d3eee8dd
et al.
Agirre, Jon
50cc0066-d5c2-49c8-a86e-06fc0177b261
Atanasova, Mihaela
1a98e311-5b44-4b72-857f-639c25baa549
Bagdonas, Haroldas
9e96e014-e065-4721-a708-45541eeec174
Ballard, Charles B.
d775072b-afd8-4c1b-a97e-16543ddc9b2e
Baslé, Arnaud
73397e8c-9ea9-4426-bd78-8df9205a8803
Beilsten-Edmands, James
5377ebc3-f8b1-40a5-bba2-3244899bad28
Borges, Rafael J.
e0584a11-2660-4897-a4e9-adf88deb8dbf
Brown, David G.
740a5b3a-cc48-40b8-8b65-bb814ea71fa5
Burgos-Mármol, J. Javier
2b6927c2-b937-4cfe-8462-d038dbd47fd4
Berrisford, John M.
7423915f-fce1-444c-b0e8-3995577d710c
Bond, Paul S.
878e1abe-7642-43bd-97ef-2b45584d7287
Caballero, Iracema
a9494284-f05c-40c4-8b0a-f7acce08512e
Catapano, Lucrezia
61b596be-0891-4595-89e3-78367abed231
Chojnowski, Grzegorz
fffa7587-e365-4067-9891-7f304bb61293
Cook, Atlanta G.
83f8b07b-d627-48b8-9616-62302359fdd8
Cowtan, Kevin D.
8bdf3894-3e29-41b5-b0b5-042217ca4589
Croll, Tristan I.
b10fe1f6-ad4b-4bae-8083-2c68f2f9cf6e
Debreczeni, Judit
f0527ed7-0b2c-4c8a-9076-214f84dbd5f9
Devenish, Nicholas E.
59d7608b-5d71-4c72-85de-758a2ccc3192
Dodson, Eleanor J.
467e8246-32ab-4b30-bb3a-09a651a8cb32
Drevon, Tarik R.
2e5251ee-9b98-467f-88c7-b78cfe648034
Emsley, Paul
4eaa0012-7fa6-43e7-82a1-0049231a8d1f
Evans, Gwyndaf
46cb660a-bce7-4c62-8afc-de2a197ed02c
Evans, Phil R.
f51d76a2-f27d-460d-9dac-dd3cd869e0da
Fando, Maria
40e64ca7-63d7-41c5-8873-312a09be6aa8
Foadi, James
7f2d3017-3999-467f-9cfd-21114d39c267
Fuentes-Montero, Luis
fba95425-3d96-4992-8a9f-4ebe11a163c0
Garman, Elspeth F.
0b5485e4-1cd9-4b8a-89c7-54274e74e52d
Gerstel, Markus
58735575-ea27-4729-941e-fd658eb54f48
Gildea, Richard J.
4a9ce513-22ec-4f5c-a5a4-bb5dc6ed204b
Hatti, Kaushik
0a26ca51-9979-4b9d-84b8-0f22d23bec75
Hekkelman, Maarten L.
ebfa6060-e227-45bc-9b5d-6304b26421ad
Heuser, Philipp
f719792b-2031-4ae9-8697-89f9bfd83732
Hoh, Soon Wen
443767cf-f95f-4a5f-99e0-f9d4a102e16e
Hough, Michael A.
d15335d7-f023-4c6f-a306-e2f270e6a2ae
Jenkins, Huw T.
5939029f-1131-4cbb-a1da-c5e64701906e
Jiménez, Elisabet
38da8bb8-9364-4dda-8dec-30328c04b57c
Joosten, Robbie P.
32f74171-237e-417b-913c-973a6aacc39f
Keegan, Ronan M.
dfbaf7e5-7b4f-4827-879e-83f661634f68
Keep, Nicholas
30c85ce0-59f8-4ebc-93db-6f961c716557
Krissinel, Eugene B.
109a762b-ffa0-4071-b0f5-2e036c5f3959
Kolenko, Petr
10c7325c-4ddb-4eba-b238-586f5ab898e7
Kovalevskiy, Oleg
9e624ab5-be60-4087-88d3-322bbedf96d1
Lamzin, Victor S.
b32d6c78-b5f3-4daf-aa0c-6e4bd9686b84
Lawson, David M.
c2b156fa-7398-4465-ba91-e993937b8f40
Lebedev, Andrey A.
adf75275-dc70-48b9-89c6-4bde189a1908
Leslie, Andrew G.W.
e8847f3c-8236-4736-a480-91dc6b059c82
Malý, Martin
6da95b42-478a-4353-b78b-ba4b2ce93849
Nicholls, Robert A.
4ce1e355-cc5d-4702-8124-820932c57076
Tews, Ivo
9117fc5e-d01c-4f8d-a734-5b14d3eee8dd

et al. (2023) The CCP4 suite: integrative software for macromolecular crystallography. Acta crystallographica. Section D, Structural biology, 79 (6), 449-461. (doi:10.1107/S2059798323003595).

Record type: Article

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.

Text
ai5011 - Version of Record
Available under License Creative Commons Attribution.
Download (1MB)

More information

Accepted/In Press date: 19 April 2023
e-pub ahead of print date: 30 May 2023
Published date: 1 June 2023
Keywords: CCP4, Collaborative Computational Project No. 4, crystallography software, macromolecular crystallography
Learn more about Biological Sciences research Learn more about Institute for Life Sciences research Learn more about Institute for Life Sciences research

Identifiers

Local EPrints ID: 488516
URI: http://eprints.soton.ac.uk/id/eprint/488516
DOI: doi:10.1107/S2059798323003595
ISSN: 2059-7983
PURE UUID: 463a88b6-c410-49f3-949f-e71083716f60
ORCID for Martin Malý: ORCID iD orcid.org/0000-0002-6081-9291
ORCID for Robert A. Nicholls: ORCID iD orcid.org/0000-0002-9715-1109
ORCID for Ivo Tews: ORCID iD orcid.org/0000-0002-4704-1139

Catalogue record

Date deposited: 26 Mar 2024 17:38
Last modified: 11 May 2024 02:10

Export record

Altmetrics

Contributors

Author: Jon Agirre
Author: Mihaela Atanasova
Author: Haroldas Bagdonas
Author: Charles B. Ballard
Author: Arnaud Baslé
Author: James Beilsten-Edmands
Author: Rafael J. Borges
Author: David G. Brown
Author: J. Javier Burgos-Mármol
Author: John M. Berrisford
Author: Paul S. Bond
Author: Iracema Caballero
Author: Lucrezia Catapano
Author: Grzegorz Chojnowski
Author: Atlanta G. Cook
Author: Kevin D. Cowtan
Author: Tristan I. Croll
Author: Judit Debreczeni
Author: Nicholas E. Devenish
Author: Eleanor J. Dodson
Author: Tarik R. Drevon
Author: Paul Emsley
Author: Gwyndaf Evans
Author: Phil R. Evans
Author: Maria Fando
Author: James Foadi
Author: Luis Fuentes-Montero
Author: Elspeth F. Garman
Author: Markus Gerstel
Author: Richard J. Gildea
Author: Kaushik Hatti
Author: Maarten L. Hekkelman
Author: Philipp Heuser
Author: Soon Wen Hoh
Author: Michael A. Hough
Author: Huw T. Jenkins
Author: Elisabet Jiménez
Author: Robbie P. Joosten
Author: Ronan M. Keegan
Author: Nicholas Keep
Author: Eugene B. Krissinel
Author: Petr Kolenko
Author: Oleg Kovalevskiy
Author: Victor S. Lamzin
Author: David M. Lawson
Author: Andrey A. Lebedev
Author: Andrew G.W. Leslie
Author: Martin Malý ORCID iD
Author: Robert A. Nicholls ORCID iD
Author: Ivo Tews ORCID iD
Corporate Author: et al.

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Library staff additional information
Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×