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

Author:

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.

Abstract

ATSASis 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 initiobead 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 2.5–2.8ATSASrelease series and highlights the latest developments. These includeAMBIMETER, an assessment of the reconstruction ambiguity of experimental data;DATCLASS, a multiclass shape classification based on experimental data;SASRES, for estimating the resolution ofab initiomodel 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;SUPALMfor a rapid superposition of low- and high-resolution models; andSASPy, theATSASplugin for interactive modelling inPyMOL. All these features and other improvements are included in theATSASrelease 2.8, freely available for academic users from https://www.embl-hamburg.de/biosaxs/software.html.

Funder

FP7 Research Infrastructures

BMBF

HFSP

DFG/GACR

Publisher

International Union of Crystallography (IUCr)

Subject

General Biochemistry, Genetics and Molecular Biology

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3