: a Comprehensive Data Analysis Suite for Small-angle Scattering from Macromolecular Solutions

Overview

Journal J Appl Crystallogr

Date 2017 Aug 16

PMID 28808438

Citations 632

Authors

D Franke

M V Petoukhov

P V Konarev

A Panjkovich

A Tuukkanen

H D T Mertens

A G Kikhney

N R Hajizadeh

J M Franklin

C M Jeffries

D I Svergun

Affiliations

Soon will be listed here.

Abstract

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, 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 release series and highlights the latest developments. These include , an assessment of the reconstruction ambiguity of experimental data; , a multiclass shape classification based on experimental data; , for estimating the resolution of model reconstructions; , a convenient interface to analyse in-line size exclusion chromatography data; , to evaluate the useful angular range in measured data; , to refine available high-resolution models using normal mode analysis; for a rapid superposition of low- and high-resolution models; and , the plugin for interactive modelling in . All these features and other improvements are included in the release 2.8, freely available for academic users from https://www.embl-hamburg.de/biosaxs/software.html.

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