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The CCP4 (Collaborative Computational Project, Number 4) software suite for macromolecular structure determination by X-ray crystallography groups brings together many programs and libraries that, by means of well established conventions, interoperate effectively without adhering to strict design guidelines. Because of this inherent flexibility, users are often presented with diverse, even divergent, choices for solving every type of problem. Recently, CCP4 introduced CCP4i2, a modern graphical interface designed to help structural biologists to navigate the process of structure determination, with an emphasis on pipelining and the streamlined presentation of results. In addition, CCP4i2 provides a framework for writing structure-solution scripts that can be built up incrementally to create increasingly automatic procedures.

Original publication

DOI

10.1107/S2059798317016035

Type

Journal article

Journal

Acta Crystallogr D Struct Biol

Publication Date

01/02/2018

Volume

74

Pages

68 - 84

Keywords

CCP4, CCP4i2, automation, graphical user interfaces, pipelines, structure solution, Computer Graphics, Crystallography, X-Ray, Macromolecular Substances, Molecular Structure, Proteins, Software, User-Computer Interface