DIALS as a toolkit.

Autor: Winter G; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., Beilsten-Edmands J; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., Devenish N; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., Gerstel M; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., Gildea RJ; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., McDonagh D; STFC Rutherford Appleton Laboratory, Didcot, UK., Pascal E; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., Waterman DG; STFC Rutherford Appleton Laboratory, Didcot, UK.; CCP4, Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, UK., Williams BH; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK., Evans G; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK.; Rosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, UK.
Jazyk: angličtina
Zdroj: Protein science : a publication of the Protein Society [Protein Sci] 2022 Jan; Vol. 31 (1), pp. 232-250. Date of Electronic Publication: 2021 Nov 24.
DOI: 10.1002/pro.4224
Abstrakt: The DIALS software for the processing of X-ray diffraction data is presented, with an emphasis on how the suite may be used as a toolkit for data processing. The description starts with an overview of the history and intent of the toolkit, usage as an automated system, command-line use, and ultimately how new tools can be written using the API to perform bespoke analysis. Consideration is also made to the application of DIALS to techniques outside of macromolecular X-ray crystallography.
(© 2021 Diamond Light Source Ltd. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society.)
Databáze: MEDLINE
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