Krissinel, Eugene, Lebedev, Andrey A, Uski, Ville et al. (30 more authors) (2022) CCP4 Cloud for structure determination and project management in macromolecular crystallography. Acta crystallographica. Section D, Structural biology. pp. 1079-1089. ISSN 2059-7983
Abstract
Nowadays, progress in the determination of three-dimensional macromolecular structures from diffraction images is achieved partly at the cost of increasing data volumes. This is due to the deployment of modern high-speed, high-resolution detectors, the increased complexity and variety of crystallographic software, the use of extensive databases and high-performance computing. This limits what can be accomplished with personal, offline, computing equipment in terms of both productivity and maintainability. There is also an issue of long-term data maintenance and availability of structure-solution projects as the links between experimental observations and the final results deposited in the PDB. In this article, CCP4 Cloud, a new front-end of the CCP4 software suite, is presented which mitigates these effects by providing an online, cloud-based environment for crystallographic computation. CCP4 Cloud was developed for the efficient delivery of computing power, database services and seamless integration with web resources. It provides a rich graphical user interface that allows project sharing and long-term storage for structure-solution projects, and can be linked to data-producing facilities. The system is distributed with the CCP4 software suite version 7.1 and higher, and an online publicly available instance of CCP4 Cloud is provided by CCP4.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Keywords: | Cloud Computing,Crystallography, X-Ray,Macromolecular Substances/chemistry,Software |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) |
Depositing User: | Pure (York) |
Date Deposited: | 09 Sep 2022 08:50 |
Last Modified: | 19 Dec 2024 00:14 |
Published Version: | https://doi.org/10.1107/S2059798322007987 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1107/S2059798322007987 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:190857 |
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Description: CCP4 Cloud for structure determination and project management in macromolecular crystallography
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