Premium
ORNL_SAS : software for calculation of small‐angle scattering intensities of proteins and protein complexes
Author(s) -
Tjioe Elina,
Heller William T.
Publication year - 2007
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s002188980702420x
Subject(s) - intensity (physics) , scattering , resolution (logic) , neutron scattering , neutron , oak ridge national laboratory , computational physics , chemistry , computer science , physics , optics , nuclear physics , artificial intelligence
The program ORNL_SAS calculates solution small‐angle X‐ray and neutron scattering intensity profiles from a wide variety of structures, including atomic‐resolution models of proteins and protein complexes, low‐resolution models defined in any manner, or combinations of both. ORNL_SAS is capable of simultaneously generating multiple intensity profiles, such as a contrast‐variation series, and evaluating the quality of the fit of the model profiles to experimental data in a single run of the program. The capabilities of the widely applicable approach make it possible to use ORNL_SAS as the intensity calculation engine of model‐building applications for small‐angle scattering data.