Constraints and restraints in crystal structure analysis

The widely used restraint-based approach to structural analysis using diffraction data is critiqued. The convenience of using rigid constraints, through the use of internal coordinates, is discussed.

Detalles Bibliográficos
Autor principal: Immirzi, Attilio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Letters to the Editor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246815/
https://www.ncbi.nlm.nih.gov/pubmed/22477768
http://dx.doi.org/10.1107/S0021889808044142
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author Immirzi, Attilio
author_facet Immirzi, Attilio
author_sort Immirzi, Attilio
collection PubMed
description The widely used restraint-based approach to structural analysis using diffraction data is critiqued. The convenience of using rigid constraints, through the use of internal coordinates, is discussed.
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spelling pubmed-32468152012-01-06 Constraints and restraints in crystal structure analysis Immirzi, Attilio J Appl Crystallogr Letters to the Editor The widely used restraint-based approach to structural analysis using diffraction data is critiqued. The convenience of using rigid constraints, through the use of internal coordinates, is discussed. International Union of Crystallography 2009-04-01 2009-02-07 /pmc/articles/PMC3246815/ /pubmed/22477768 http://dx.doi.org/10.1107/S0021889808044142 Text en © Attilio Immirzi 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Letters to the Editor
Immirzi, Attilio
Constraints and restraints in crystal structure analysis
title Constraints and restraints in crystal structure analysis
title_full Constraints and restraints in crystal structure analysis
title_fullStr Constraints and restraints in crystal structure analysis
title_full_unstemmed Constraints and restraints in crystal structure analysis
title_short Constraints and restraints in crystal structure analysis
title_sort constraints and restraints in crystal structure analysis
topic Letters to the Editor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246815/
https://www.ncbi.nlm.nih.gov/pubmed/22477768
http://dx.doi.org/10.1107/S0021889808044142
work_keys_str_mv AT immirziattilio constraintsandrestraintsincrystalstructureanalysis

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