LORES: Low resolution shape program for the calculation of small angle scattering profiles for biological macromolecules in solution

Published: 1 August 2005| Version 1 | DOI: 10.17632/hrwb4w96p9.1
J. Zhou, A. Deyhim, S. Krueger, S.K. Gregurick


Abstract A program for determining the low resolution shape of biological macromolecules, based on the optimization of a small angle neutron scattering profile to experimental data, is presented. This program, termed LORES, relies on a Monte Carlo optimization procedure and will allow for multiple scattering length densities of complex structures. It is therefore more versatile than utilizing a form factor approach to produce low resolution structural models. LORES is easy to compile and use, and allo... Title of program: LORES Catalogue Id: ADVC_v1_0 Nature of problem Structure determination based on small angle neutron scattering. Versions of this program held in the CPC repository in Mendeley Data ADVC_v1_0; LORES; 10.1016/j.cpc.2004.12.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics