DIALS as a toolkit

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 ultimate...

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Autores principales: Winter, Graeme, Beilsten‐Edmands, James, Devenish, Nicholas, Gerstel, Markus, Gildea, Richard J., McDonagh, David, Pascal, Elena, Waterman, David G., Williams, Benjamin H., Evans, Gwyndaf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2021
Materias:
Tools for Protein Science
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8740827/
https://www.ncbi.nlm.nih.gov/pubmed/34747533
http://dx.doi.org/10.1002/pro.4224
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author Winter, Graeme
Beilsten‐Edmands, James
Devenish, Nicholas
Gerstel, Markus
Gildea, Richard J.
McDonagh, David
Pascal, Elena
Waterman, David G.
Williams, Benjamin H.
Evans, Gwyndaf
author_facet Winter, Graeme
Beilsten‐Edmands, James
Devenish, Nicholas
Gerstel, Markus
Gildea, Richard J.
McDonagh, David
Pascal, Elena
Waterman, David G.
Williams, Benjamin H.
Evans, Gwyndaf
author_sort Winter, Graeme
collection PubMed
description 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.
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spelling pubmed-87408272022-01-12 DIALS as a toolkit Winter, Graeme Beilsten‐Edmands, James Devenish, Nicholas Gerstel, Markus Gildea, Richard J. McDonagh, David Pascal, Elena Waterman, David G. Williams, Benjamin H. Evans, Gwyndaf Protein Sci Tools for Protein Science 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. John Wiley & Sons, Inc. 2021-11-24 2022-01 /pmc/articles/PMC8740827/ /pubmed/34747533 http://dx.doi.org/10.1002/pro.4224 Text en © 2021 Diamond Light Source Ltd. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society. https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Tools for Protein Science
Winter, Graeme
Beilsten‐Edmands, James
Devenish, Nicholas
Gerstel, Markus
Gildea, Richard J.
McDonagh, David
Pascal, Elena
Waterman, David G.
Williams, Benjamin H.
Evans, Gwyndaf
DIALS as a toolkit
title DIALS as a toolkit
title_full DIALS as a toolkit
title_fullStr DIALS as a toolkit
title_full_unstemmed DIALS as a toolkit
title_short DIALS as a toolkit
title_sort dials as a toolkit
topic Tools for Protein Science
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8740827/
https://www.ncbi.nlm.nih.gov/pubmed/34747533
http://dx.doi.org/10.1002/pro.4224
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