@inproceedings{17c261db470d4bd28f19633a7e7f69f8,
title = "US-SOMO cluster methods: Year one perspective",
abstract = "UltraScan Solution Modeler (US-SOMO) computes hydiodynamie parameters and small-angle scattering data from biological macromolecular structural representations and compares them with experimental data for structural determination and validation. At XSEDE 12, a GUI integrated gateway was introduced to offload large computations to various HPC resources. The gateway was directly integrated into the Qt/GUI based software to allow the users a seamless experience. The software is available as source code or precompiled for Apple Mac OSX, MS-Windows and Linux. Current cluster resources include TACC Lonestar and Stampede, SDSC Trestles and a 256 CPU cluster local to the University of Texas Health Science Center at San Antonio. The simplicity of design allowed the implementation of a new method of modeling small angle scattering data that provided new scientific insights and was presented at the 2012 international small-angle scattering conference. Since introduction, multiple workshops have been taught and users are beginning to utilize the gateway in their biological research.",
keywords = "Analytical ultracentrifugation, Apache airavata, Bead modeling, Community outreach, Enabled science, Hydrodynamics, Open gateway computing environment, Science gateway, Small angle scattering, Structural biology, Ultrascan",
author = "Emre Brookes and Raminderjeet Singh and Marlon Pierce and Suresh Marru and Borries Demeler and Mattia Rocco",
year = "2013",
doi = "10.1145/2484762.2484815",
language = "English",
isbn = "9781450321709",
series = "ACM International Conference Proceeding Series",
booktitle = "Proceedings of the XSEDE 2013 Conference",
note = "Conference on Extreme Science and Engineering Discovery Environment, XSEDE 2013 ; Conference date: 22-07-2013 Through 25-07-2013",
}