New developments in theATSASprogram package for small-angle scattering data analysis
| Autor: | Daniel Franke, Haydyn D. T. Mertens, Alexander V. Shkumatov, Christian Gorba, Alexey Kikhney, Petr V. Konarev, Michal J. Gajda, Giancarlo Tria, Dmitri I. Svergun, Maxim V. Petoukhov |
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| Rok vydání: | 2012 |
| Předmět: |
ATSAS
0303 health sciences Software documentation Computer science Data manipulation language Automated data processing data analysis Isotropy Neutron scattering General Biochemistry Genetics and Molecular Biology Computer Programs Computational science small-angle scattering 03 medical and health sciences 0302 clinical medicine Installation Isotropic scattering structural modelling isotropic scattering biological macromolecules Small-angle scattering 030217 neurology & neurosurgery 030304 developmental biology |
| Zdroj: | Journal of Applied Crystallography |
| ISSN: | 0021-8898 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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