Cargando…

New developments in the ATSAS program package for small-angle scattering data analysis

New developments in the program package ATSAS (version 2.4) for the processing and analysis of isotropic small-angle X-ray and neutron scattering data are described. They include (i) multiplatform data manipulation and display tools, (ii) programs for automated data processing and calculation of ove...

Descripción completa

Detalles Bibliográficos
Autores principales: Petoukhov, Maxim V., Franke, Daniel, Shkumatov, Alexander V., Tria, Giancarlo, Kikhney, Alexey G., Gajda, Michal, Gorba, Christian, Mertens, Haydyn D. T., Konarev, Petr V., Svergun, Dmitri I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4233345/
https://www.ncbi.nlm.nih.gov/pubmed/25484842
http://dx.doi.org/10.1107/S0021889812007662
_version_ 1782344708826071040
author Petoukhov, Maxim V.
Franke, Daniel
Shkumatov, Alexander V.
Tria, Giancarlo
Kikhney, Alexey G.
Gajda, Michal
Gorba, Christian
Mertens, Haydyn D. T.
Konarev, Petr V.
Svergun, Dmitri I.
author_facet Petoukhov, Maxim V.
Franke, Daniel
Shkumatov, Alexander V.
Tria, Giancarlo
Kikhney, Alexey G.
Gajda, Michal
Gorba, Christian
Mertens, Haydyn D. T.
Konarev, Petr V.
Svergun, Dmitri I.
author_sort Petoukhov, Maxim V.
collection PubMed
description New developments in the program package ATSAS (version 2.4) for the processing and analysis of isotropic small-angle X-ray and neutron scattering data are described. They include (i) multiplatform data manipulation and display tools, (ii) programs for automated data processing and calculation of overall parameters, (iii) improved usage of high- and low-resolution models from other structural methods, (iv) new algorithms to build three-dimensional models from weakly interacting oligomeric systems and complexes, and (v) enhanced tools to analyse data from mixtures and flexible systems. The new ATSAS release includes installers for current major platforms (Windows, Linux and Mac OSX) and provides improved indexed user documentation. The web-related developments, including a user discussion forum and a widened online access to run ATSAS programs, are also presented.
format Online
Article
Text
id pubmed-4233345
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-42333452014-12-05 New developments in the ATSAS program package for small-angle scattering data analysis Petoukhov, Maxim V. Franke, Daniel Shkumatov, Alexander V. Tria, Giancarlo Kikhney, Alexey G. Gajda, Michal Gorba, Christian Mertens, Haydyn D. T. Konarev, Petr V. Svergun, Dmitri I. J Appl Crystallogr Computer Programs New developments in the program package ATSAS (version 2.4) for the processing and analysis of isotropic small-angle X-ray and neutron scattering data are described. They include (i) multiplatform data manipulation and display tools, (ii) programs for automated data processing and calculation of overall parameters, (iii) improved usage of high- and low-resolution models from other structural methods, (iv) new algorithms to build three-dimensional models from weakly interacting oligomeric systems and complexes, and (v) enhanced tools to analyse data from mixtures and flexible systems. The new ATSAS release includes installers for current major platforms (Windows, Linux and Mac OSX) and provides improved indexed user documentation. The web-related developments, including a user discussion forum and a widened online access to run ATSAS programs, are also presented. International Union of Crystallography 2012-03-15 /pmc/articles/PMC4233345/ /pubmed/25484842 http://dx.doi.org/10.1107/S0021889812007662 Text en © Maxim V. Petoukhov et al. 2012 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 Computer Programs
Petoukhov, Maxim V.
Franke, Daniel
Shkumatov, Alexander V.
Tria, Giancarlo
Kikhney, Alexey G.
Gajda, Michal
Gorba, Christian
Mertens, Haydyn D. T.
Konarev, Petr V.
Svergun, Dmitri I.
New developments in the ATSAS program package for small-angle scattering data analysis
title New developments in the ATSAS program package for small-angle scattering data analysis
title_full New developments in the ATSAS program package for small-angle scattering data analysis
title_fullStr New developments in the ATSAS program package for small-angle scattering data analysis
title_full_unstemmed New developments in the ATSAS program package for small-angle scattering data analysis
title_short New developments in the ATSAS program package for small-angle scattering data analysis
title_sort new developments in the atsas program package for small-angle scattering data analysis
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4233345/
https://www.ncbi.nlm.nih.gov/pubmed/25484842
http://dx.doi.org/10.1107/S0021889812007662
work_keys_str_mv AT petoukhovmaximv newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT frankedaniel newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT shkumatovalexanderv newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT triagiancarlo newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT kikhneyalexeyg newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT gajdamichal newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT gorbachristian newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT mertenshaydyndt newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT konarevpetrv newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis
AT svergundmitrii newdevelopmentsintheatsasprogrampackageforsmallanglescatteringdataanalysis