New developments in the ATSAS program package for small-angle scattering data analysis.
New developments in the ATSAS program package for small-angle scattering data analysis.
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DOI：
10.1107/s0021889812007662
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发表时间：
2012-04-01
影响因子：
6.1
通讯作者：
Svergun DI
中科院分区：
文献类型：
--
作者：
Petoukhov MV;Franke D;Shkumatov AV;Tria G;Kikhney AG;Gajda M;Gorba C;Mertens HD;Konarev PV;Svergun DI
本文介绍了新的发展和修正的ATSAS软件包（版本2.4）处理和分析的各向同性小角散射数据。本文介绍了用于处理和分析各向同性小角X射线和中子散射数据的程序包ATSAS（2.4版）的新发展。它们包括（i）多平台数据处理和显示工具，（ii）自动数据处理和计算总体参数的程序，（iii）改进其他结构方法的高分辨率和低分辨率模型的使用，（iv）从弱相互作用低聚体系和复合物构建三维模型的新算法，以及（v）分析混合物和柔性体系数据的增强工具。新的ATSAS版本包括当前主要平台（Windows、Linux和Mac OSX）的安装程序，并提供改进的索引用户文档。网络相关的发展，包括用户讨论论坛和扩大的在线访问运行ATSAS程序，也提出了。
The paper presents new developments and amendments to the ATSAS package (version 2.4) for processing and analysis of isotropic small-angle scattering data. 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.