The <i>CCP</i>4 suite: integrative software for macromolecular crystallography
Jon Agirre, Mihaela Atanasova, Haroldas Bagdonas, Charles B. Ballard, Arnaud Baslé, James Beilsten‐Edmands, Rafael J. Borges, D. Brown, J. Javier Burgos-Mármol, John M. Berrisford, Paul S. Bond, Iracema Caballero, Lucrezia Catapano, Grzegorz Chojnowski, Atlanta G. Cook, Kevin Cowtan, Tristan I. Croll, J.E. Debreczeni, N. E. Devenish, E.J. Dodson, Tarik R. Drevon, Paul Emsley, Gwyndaf Evans, Phil Evans, Maria Fando, James Foadi, Luis Fuentes‐Montero, Elspeth F. Garman, Markus Gerstel, Richard J. Gildea, Kaushik Hatti, Maarten L. Hekkelman, Philipp Heuser, Soon Wen Hoh, Michael A. Hough, Huw T. Jenkins, Elisabet Jiménez, Robbie P. Joosten, Ronan M. Keegan, N.H. Keep, Eugene Krissinel, Petr Kolenko, Oleg Kovalevskiy, Victor S. Lamzin, David M. Lawson, Andrey A. Lebedev, Andrew G. W. Leslie, Bernhard Lohkamp, Fei Long, Martin Malý, Airlie J. McCoy, Stuart McNicholas, Ana Medina, Claudia Millán, James W. Murray, Garib N. Murshudov, Robert A. Nicholls, M.E.M. Noble, Robert D. Oeffner, Navraj S. Pannu, James M. Parkhurst, Nicholas M. Pearce, Joana Pereira, Anastassis Perrakis, Harold R. Powell, Randy J. Read, Daniel J. Rigden, William Rochira, Massimo Sammito, Filomeno Sánchez Rodríguez, George M. Sheldrick, Kathryn L. Shelley, Felix Šimkovic, Adam J. Simpkin, Pavol Skubák, E. V. Sobolev, Roberto A. Steiner, Kyle Stevenson, Ivo Tews, Jens M. H. Thomas, Andrea Thorn, Josep Triviño, Ville Uski, Isabel Usón, Alexei A. Vagin, Sameer Velankar, M. Vollmar, Helen Walden, David G. Waterman, Keith S. Wilson, Martyn Winn, Graeme Winter, Marcin Wojdyr, Keitaro Yamashita
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.