Supported Applications

CS-ROSETTA

Description

(Chemical-Shift-ROSETTA) a robust protocol to exploit mining of protein chemical shifts deposited in the BMRB, in conjunction with the known corresponding 3D structures for de novo protein structure generation, using as input parameters the 13CA, 13CB, 13C', 15N, 1HA and 1HN NMR chemical shifts. Also includes CS-Rosetta toolbox, which provides useful scripts for preparing, running, and analyzing CS-Rosetta runs.
Usage
To list all executables provided by CS-ROSETTA, run: $ sbgrid-list cs-rosetta
Usage Notes

This software is computationally intensive and would ideally be run on a cluster. The University of Wisconsin hosts a web front end for CS-Rosetta that runs jobs on the Open Science Grid (100k+ CPUs) and is free for academic users.
Installation
Use the following command to install this title with the CLI client: $ sbgrid-cli install cs-rosetta Available operating systems: Linux 64, OS X INTEL
Primary Citation*

Y. Shen, O. Lange, F. Delaglio, P. Rossi, J. M. Aramini, G. Liu, A. Eletsky, Y. Wu, K. K. Singarapu, A. Lemak, A. Ignatchenko, C. H. Arrowsmith, T. Szyperski, G. T. Montelione, D. Baker, and A. Bax. 2008. Consistent blind protein structure generation from NMR chemical shift data. Proc Natl Acad Sci U S A. 105(12): 4685-4690.
- *Full citation information available through