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ATSAS 2.8: a comprehensive data analysis suite for small-angle scattering from macromolecular solutions

Open access
Franke, D., Petoukhov, M. V., Konarev, P. V., Panjkovich, A., Tuukkanen, A., Mertens, H. D. T., Kikhney, A. G., Hajizadeh, N. R., Franklin, J. M., Jeffries, C. M., Svergun, D. I.·2017·Journal of Applied Crystallography

Abstract

ATSAS is a comprehensive software suite for the analysis of small-angle scattering data from dilute solutions of biological macromolecules or nanoparticles. It contains applications for primary data processing and assessment,ab initio bead modelling, and model validation, as well as methods for the analysis of flexibility and mixtures. In addition, approaches are supported that utilize information from X-ray crystallography, nuclear magnetic resonance spectroscopy or atomistic homology modelling to construct hybrid models based on the scattering data. This article summarizes the progress made during the 2.5–2.8 ATSAS release series and highlights the latest developments. These include AMBIMETER, an assessment of the reconstruction ambiguity of experimental data;DATCLASS, a multiclass shape classification based on experimental data;SASRES, for estimating the resolution of ab initio model reconstructions;CHROMIXS, a convenient interface to analyse in-line size exclusion chromatography data;SHANUM, to evaluate the useful angular range in measured data;SREFLEX, to refine available high-resolution models using normal mode analysis;SUPALM for a rapid superposition of low- and high-resolution models; and SASPy, the ATSAS plugin for interactive modelling in PyMOL. All these features and other improvements are included in the ATSAS release 2.8, freely available for academic users from https://www.embl-hamburg.de/biosaxs/software.html.

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Metadata

Authors
Franke, D., Petoukhov, M. V., Konarev, P. V., Panjkovich, A., Tuukkanen, A., Mertens, H. D. T., Kikhney, A. G., Hajizadeh, N. R., Franklin, J. M., Jeffries, C. M., & Svergun, D. I.
Venue
Journal of Applied Crystallography
Published
2017-06-26
Volume
50
Issue
4
Pages
1212-1225
ISSN
  • 0021-8898 (ISSN-L)
  • 1600-5767
OpenAlex
W2707646777
Cited by
1,329
References
3
FWCI
69.44
Type
journal article
Language
en
Open access
hybrid

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CoChat. (2026). Citation check: ATSAS 2.8: a comprehensive data analysis suite for small-angle scattering from macromolecular solutions. https://app.cochat.ai/papers/10.1107/s1600576717007786
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Franke, D., Petoukhov, M. V., Konarev, P. V., Panjkovich, A., Tuukkanen, A., Mertens, H. D. T., Kikhney, A. G., Hajizadeh, N. R., Franklin, J. M., Jeffries, C. M., & Svergun, D. I. (2017). ATSAS 2.8: a comprehensive data analysis suite for small-angle scattering from macromolecular solutions. Journal of Applied Crystallography. https://doi.org/10.1107/s1600576717007786

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