Ongoing developments in CCP4 for high-throughput structure determination

Collaborative Computational Project Number 4 (CCP4) was established in 1979 to promote collaboration between UK groups writing software for protein crystallography. From these beginnings, CCP4 now distributes a large software suite and is active in developing new software. In this article, an overvi...

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Bibliographic Details
Published in:Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2002-11, Vol.58 (11), p.1929-1936
Main Authors: Winn, M. D., Ashton, A. W., Briggs, P. J., Ballard, C. C., Patel, P.
Format: Article
Language:English
Subjects:
CCP4
Crystallography, X-Ray - methods
high-throughput structure determination
Proteins - chemistry
Software
Online Access:Get full text
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Summary:Collaborative Computational Project Number 4 (CCP4) was established in 1979 to promote collaboration between UK groups writing software for protein crystallography. From these beginnings, CCP4 now distributes a large software suite and is active in developing new software. In this article, an overview is given of recent and ongoing developments in the CCP4 software suite, in particular as they pertain to high‐throughput studies. Developments in individual programs are discussed first, although these are covered in more detail elsewhere. The bulk of the article focusses on the infrastructure of the software suite which allows the user to move effortlessly between different programs or to create automated schemas. Major changes to the software library at the heart of the CCP4 suite, developments in the CCP4 graphical user interface, and data management within CCP4 are discussed. The latter is crucial to high‐throughput studies, where a large number of data are imported, created and finally archived.
ISSN:1399-0047
0907-4449
1399-0047
DOI:10.1107/S0907444902016116