期刊
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
卷 74, 期 -, 页码 68-84出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2059798317016035
关键词
graphical user interfaces; structure solution; CCP4; CCP4i2; automation; pipelines
资金
- Collaborative Computational Project, Number 4 (CCP4)
- British Biotechnology and Biological Sciences Research Council (BBSRC) [BB/K008153/1, BB/L006383/1]
- Medical Research Council (MRC) [U105178845]
- CCP4/Science and Technology Facilities Council (STFC) [PR140014]
- Netherlands Organization for Scientific Research (NWO) Domain Applied and Engineering Sciences (TTW) [13337]
- Biotechnology and Biological Sciences Research Council [BB/F020805/1, BB/L006383/1, BB/L009544/1, BB/L008777/1, BB/L007010/1] Funding Source: researchfish
- Medical Research Council [MC_UP_A025_1012, MC_U105178845] Funding Source: researchfish
- BBSRC [BB/L008777/1, BB/L007010/1, BB/L009544/1, BB/L006383/1, BB/F020805/1] Funding Source: UKRI
- MRC [MC_U105178845, MC_UP_A025_1012] Funding Source: UKRI
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.
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