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2018 ; 74
(Pt 2
): 143-151
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Distributed computing for macromolecular crystallography
#MMPMID29533240
Krissinel E
; Uski V
; Lebedev A
; Winn M
; Ballard C
Acta Crystallogr D Struct Biol
2018[Feb]; 74
(Pt 2
): 143-151
PMID29533240
show ga
Modern crystallographic computing is characterized by the growing role of
automated structure-solution pipelines, which represent complex expert systems
utilizing a number of program components, decision makers and databases. They
also require considerable computational resources and regular database
maintenance, which is increasingly more difficult to provide at the level of
individual desktop-based CCP4 setups. On the other hand, there is a significant
growth in data processed in the field, which brings up the issue of centralized
facilities for keeping both the data collected and structure-solution projects.
The paradigm of distributed computing and data management offers a convenient
approach to tackling these problems, which has become more attractive in recent
years owing to the popularity of mobile devices such as tablets and
ultra-portable laptops. In this article, an overview is given of developments by
CCP4 aimed at bringing distributed crystallographic computations to a wide
crystallographic community.
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