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

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          Abstract

          The paper presents new developments and amendments to the ATSAS package (version 2.4) for processing and analysis of isotropic small-angle scattering data.

          Abstract

          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.

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          Author and article information

          Journal
          J Appl Crystallogr
          J. Appl. Cryst.
          Journal of Applied Crystallography
          International Union of Crystallography
          0021-8898
          1600-5767
          01 April 2012
          15 March 2012
          15 March 2012
          : 45
          : Pt 2 ( publisher-idID: j120200 )
          : 342-350
          Affiliations
          [a ]European Molecular Biology Laboratory, Hamburg Unit, EMBL c/o DESY, Notkestrasse 85, Hamburg 22607, Germany
          Author notes
          Article
          fs5015 JACGAR S0021889812007662
          10.1107/S0021889812007662
          4233345
          25484842
          b0085aa5-9861-4817-98cb-b46839bf6c8a
          © Maxim V. Petoukhov et al. 2012

          This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

          History
          : 05 January 2012
          : 20 February 2012
          Categories
          Computer Programs

          Analytical chemistry
          isotropic scattering,small-angle scattering,data analysis,biological macromolecules,structural modelling,atsas,computer programs

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