Owens
Services have been restored after switch failure
Switch failure on Nov 17 2018
Reboot of NetApp as part of an upgrade on November 19
Major network switch outage on November 14, 2018
Transmission3d
Transmission3d is a 3-dimensional, multi-body gear contact analysis software capable of modeling complex gear systems developed by Ansol (Advanced Numeric Solutions). Multiple gear types, including: Helical, Straight Bevel, Spiral Bevel, Hypoids, Beveloids and Worms can be modeled. Multiple bearing types, as well as complex shafts, carriers and housings can also be modeled with the software. A variety of output data options including tooth bending stress, contact patterns, and displacement are also available.
NBO 6.0 now available on Owens
NBO 6.0 has been installed on the Owens cluster; usage is via the module nbo/6.0. For information on available executables and installation details see the software page for NBO.
NBO
The Natural Bond Orbital (NBO) program is a discovery tool for chemical insights from complex wavefunctions. NBO is a broad suite of 'natural' algorithms for optimally expressing numerical solutions of Schrödinger's wave equation in the chemically intuitive language of Lewis-like bonding patterns and associated resonance-type 'donor-acceptor' interactions.
Availability and Restrictions
Versions
NBO is available on Owens. The versions currently available at OSC are
Rosetta
Rosetta is a software suite that includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.