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

被引：1401

作者：

Petoukhov, Maxim V. ^{[1
]}

Franke, Daniel ^{[1
]}

Shkumatov, Alexander V. ^{[1
]}

Tria, Giancarlo ^{[1
]}

Kikhney, Alexey G. ^{[1
]}

Gajda, Michal ^{[1
]}

Gorba, Christian ^{[1
]}

Mertens, Haydyn D. T. ^{[1
]}

Konarev, Petr V. ^{[1
]}

Svergun, Dmitri I. ^{[1
]}

机构：

[1] DESY, EMBL, Hamburg Unit, D-22607 Hamburg, Germany

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2012年 / 45卷

关键词：

X-RAY-SCATTERING; BIOLOGICAL MACROMOLECULES; STRUCTURAL-CHARACTERIZATION; MAGNETIC NANOPARTICLES; PROTEIN MODELS; RESOLUTION; COMPLEXES; HYDROPHILIZATION;

D O I：

10.1107/S0021889812007662

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：342 / 350

页数：9

共 51 条

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