the program suite SASSIE (tools used to create atomistic models of molecular systems and to compare scattering data from these models directly to experimental data) plus “courtesy modules,” which include the molecular dynamics package NAMD, the scattering calculators Cryson and Crysol, and the program Hydropro for calculating hydrodynamic properties.
SASSIE is available in the SBGrid suite in two different variations, with courtesy modules (SASSIE+) and without (SASSIE). The courtesy modules include the ATSAS applications Cyrson and Crysol, which have additional licensing requirements. If you would like the SASSIE version including courtesy modules, you must first register your lab with EMBL. To include this software in your installation, please register here http://www.embl-hamburg.de/biosaxs/atsas-online/register.php, then send a copy of your registration confirmation to us at email@example.com.
InstallationUse the following command to install this title with the CLI client:
$ sbgrid-cli install sassieplus
Hailiang Zhang, Joseph E Curtis, Susan Krueger