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PMID: 25484842 Published · epublish English Journal Article

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

Journal of applied crystallography ·Vol. 45 ·No. Pt 2 ·2012-04-01 ·Pages 342-350

Petoukhov MV, Franke D, Shkumatov AV, Tria G, Kikhney AG, Gajda M, Gorba C, Mertens HD, Konarev PV, Svergun DI

Abstract

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.

Keywords
ATSAS biological macromolecules computer programs data analysis isotropic scattering small-angle scattering structural modelling
Authors & Affiliations
10 authors, click to expand affiliations / ORCID
Petoukhov Maxim V
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Franke Daniel
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Shkumatov Alexander V
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Tria Giancarlo
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Kikhney Alexey G
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Gajda Michal
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Gorba Christian
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Mertens Haydyn D T
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Konarev Petr V
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
Svergun Dmitri I
European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany.
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Article Info
Journal
Journal of applied crystallography
Abbr.
J Appl Crystallogr
ISSN
0021-8898
DOI
10.1107/S0021889812007662
Published
2012-04-01
Epub
2012-00-15
Pages
342-350
Language
English
Region
United States
NLM ID
9876190
PMCID
PMC4233345
External Links
PubMed source DOI: 10.1107/S0021889812007662 PMC Full Text View journal details
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