Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition

In this paper, several approaches to be used to accelerate algorithms for fitting an atomic structure into a given 3D density map determined by cryo-EM are discussed. Rotation and translation of the atomic structure to find similarity scores are used and implemented with discrete Fourier transforms....

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Detalles Bibliográficos
Autores principales: Titarenko, Valeriy, Roseman, Alan M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Ccp4
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025886/
https://www.ncbi.nlm.nih.gov/pubmed/33825705
http://dx.doi.org/10.1107/S2059798321001212
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author Titarenko, Valeriy
Roseman, Alan M.
author_facet Titarenko, Valeriy
Roseman, Alan M.
author_sort Titarenko, Valeriy
collection PubMed
description In this paper, several approaches to be used to accelerate algorithms for fitting an atomic structure into a given 3D density map determined by cryo-EM are discussed. Rotation and translation of the atomic structure to find similarity scores are used and implemented with discrete Fourier transforms. Several rotations can be combined into groups to accelerate processing. The finite resolution of experimental and simulated maps allows a reduction in the number of rotations and translations needed in order to estimate similarity-score values.
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spelling pubmed-80258862021-04-30 Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition Titarenko, Valeriy Roseman, Alan M. Acta Crystallogr D Struct Biol Ccp4 In this paper, several approaches to be used to accelerate algorithms for fitting an atomic structure into a given 3D density map determined by cryo-EM are discussed. Rotation and translation of the atomic structure to find similarity scores are used and implemented with discrete Fourier transforms. Several rotations can be combined into groups to accelerate processing. The finite resolution of experimental and simulated maps allows a reduction in the number of rotations and translations needed in order to estimate similarity-score values. International Union of Crystallography 2021-03-30 /pmc/articles/PMC8025886/ /pubmed/33825705 http://dx.doi.org/10.1107/S2059798321001212 Text en © Titarenko & Roseman 2021 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Ccp4
Titarenko, Valeriy
Roseman, Alan M.
Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
title Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
title_full Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
title_fullStr Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
title_full_unstemmed Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
title_short Theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
title_sort theoretical and practical approaches to improve the performance of local correlation algorithms for volume data analysis and shape recognition
topic Ccp4
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025886/
https://www.ncbi.nlm.nih.gov/pubmed/33825705
http://dx.doi.org/10.1107/S2059798321001212
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