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dc.contributor.authorKrissinel, E.B.
dc.contributor.authorWinn, M.D.
dc.contributor.authorBallard, C.C.
dc.contributor.authorAshton, A.W.
dc.contributor.authorPatel, Pryank
dc.contributor.authorPotterton, E.A.
dc.contributor.authorMcNicholas, S.J.
dc.contributor.authorCowtan, K.D.
dc.contributor.authorEmsley, P.
dc.identifier.citationKrissinel , E B , Winn , M D , Ballard , C C , Ashton , A W , Patel , P , Potterton , E A , McNicholas , S J , Cowtan , K D & Emsley , P 2004 , ' The new CCP4 Coordinate Library as a toolkit for the design of coordinate-related applications in protein crystallography ' , Acta crystallographica. Section D, Biological crystallography , vol. 60 , no. 12 , pp. 2250-5 .
dc.identifier.otherPURE: 9759345
dc.identifier.otherPURE UUID: 678a0bfb-f4dd-4503-89ad-d7ba842fd8a1
dc.identifier.otherPubMed: 15572778
dc.identifier.otherScopus: 10844268381
dc.description.abstractThe new CCP4 Coordinate Library is a development aiming to provide a common layer of coordinate-related functionality to the existing applications in the CCP4 suite, as well as a variety of tools that can simplify the design of new applications where they relate to atomic coordinates. The Library comprises a wide spectrum of useful functions, ranging from parsing coordinate formats and elementary editing operations on the coordinate hierarchy of biomolecules, to high-level functionality such as calculation of secondary structure, interatomic bonds, atomic contacts, symmetry transformations, structure superposition and many others. Most of the functions are available in a C++ object interface; however, a Fortran interface is provided for compatibility with older CCP4 applications. The paper describes the general principles of the Library design and the most important functionality. The Library, together with documentation, is available under the LGPL license from the CCP4 suite version 5.0 and higher.en
dc.relation.ispartofActa crystallographica. Section D, Biological crystallography
dc.subjectComputer Graphics
dc.subjectCrystallography, X-Ray
dc.subjectDatabases, Protein
dc.subjectModels, Molecular
dc.subjectProtein Conformation
dc.subjectUser-Computer Interface
dc.titleThe new CCP4 Coordinate Library as a toolkit for the design of coordinate-related applications in protein crystallographyen
dc.contributor.institutionSchool of Life and Medical Sciences
dc.contributor.institutionBiochemistry and Bioinformatics
dc.contributor.institutionDepartment of Biological and Environmental Sciences
dc.description.statusPeer reviewed
dc.relation.schoolSchool of Life and Medical Sciences
rioxxterms.typeJournal Article/Review

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