Cargando…

High-performance macromolecular data delivery and visualization for the web

Biomacromolecular structural data make up a vital and crucial scientific resource that has grown not only in terms of its amount but also in its size and complexity. Furthermore, these data are accompanied by large and increasing amounts of experimental data. Additionally, the macromolecular data ar...

Descripción completa

Detalles Bibliográficos
Autores principales: Sehnal, David, Svobodová, Radka, Berka, Karel, Rose, Alexander S., Burley, Stephen K., Velankar, Sameer, Koča, Jaroslav
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7709201/
https://www.ncbi.nlm.nih.gov/pubmed/33263322
http://dx.doi.org/10.1107/S2059798320014515
_version_ 1783617701145477120
author Sehnal, David
Svobodová, Radka
Berka, Karel
Rose, Alexander S.
Burley, Stephen K.
Velankar, Sameer
Koča, Jaroslav
author_facet Sehnal, David
Svobodová, Radka
Berka, Karel
Rose, Alexander S.
Burley, Stephen K.
Velankar, Sameer
Koča, Jaroslav
author_sort Sehnal, David
collection PubMed
description Biomacromolecular structural data make up a vital and crucial scientific resource that has grown not only in terms of its amount but also in its size and complexity. Furthermore, these data are accompanied by large and increasing amounts of experimental data. Additionally, the macromolecular data are enriched with value-added annotations describing their biological, physicochemical and structural properties. Today, the scientific community requires fast and fully interactive web visualization to exploit this complex structural information. This article provides a survey of the available cutting-edge web services that address this challenge. Specifically, it focuses on data-delivery problems, discusses the visualization of a single structure, including experimental data and annotations, and concludes with a focus on the results of molecular-dynamics simulations and the visualization of structural ensembles.
format Online
Article
Text
id pubmed-7709201
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-77092012020-12-09 High-performance macromolecular data delivery and visualization for the web Sehnal, David Svobodová, Radka Berka, Karel Rose, Alexander S. Burley, Stephen K. Velankar, Sameer Koča, Jaroslav Acta Crystallogr D Struct Biol Ccp4 Biomacromolecular structural data make up a vital and crucial scientific resource that has grown not only in terms of its amount but also in its size and complexity. Furthermore, these data are accompanied by large and increasing amounts of experimental data. Additionally, the macromolecular data are enriched with value-added annotations describing their biological, physicochemical and structural properties. Today, the scientific community requires fast and fully interactive web visualization to exploit this complex structural information. This article provides a survey of the available cutting-edge web services that address this challenge. Specifically, it focuses on data-delivery problems, discusses the visualization of a single structure, including experimental data and annotations, and concludes with a focus on the results of molecular-dynamics simulations and the visualization of structural ensembles. International Union of Crystallography 2020-11-26 /pmc/articles/PMC7709201/ /pubmed/33263322 http://dx.doi.org/10.1107/S2059798320014515 Text en © Sehnal et al. 2020 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
Sehnal, David
Svobodová, Radka
Berka, Karel
Rose, Alexander S.
Burley, Stephen K.
Velankar, Sameer
Koča, Jaroslav
High-performance macromolecular data delivery and visualization for the web
title High-performance macromolecular data delivery and visualization for the web
title_full High-performance macromolecular data delivery and visualization for the web
title_fullStr High-performance macromolecular data delivery and visualization for the web
title_full_unstemmed High-performance macromolecular data delivery and visualization for the web
title_short High-performance macromolecular data delivery and visualization for the web
title_sort high-performance macromolecular data delivery and visualization for the web
topic Ccp4
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7709201/
https://www.ncbi.nlm.nih.gov/pubmed/33263322
http://dx.doi.org/10.1107/S2059798320014515
work_keys_str_mv AT sehnaldavid highperformancemacromoleculardatadeliveryandvisualizationfortheweb
AT svobodovaradka highperformancemacromoleculardatadeliveryandvisualizationfortheweb
AT berkakarel highperformancemacromoleculardatadeliveryandvisualizationfortheweb
AT rosealexanders highperformancemacromoleculardatadeliveryandvisualizationfortheweb
AT burleystephenk highperformancemacromoleculardatadeliveryandvisualizationfortheweb
AT velankarsameer highperformancemacromoleculardatadeliveryandvisualizationfortheweb
AT kocajaroslav highperformancemacromoleculardatadeliveryandvisualizationfortheweb