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.
Availability and Restrictions
The Rosetta suite is available on Owens and Pitzer. The versions currently available at OSC are:
You can use
module spider rosetta to view available modules for a given machine. Feel free to contact OSC Help if you need other versions for your work.
Access for Academic Users
Rosetta is available to academic OSC users who agree to the terms of the license agreement. Please review the license agreement carefully before use. If you have any questions, please contact OSC Help.
Publisher/Vendor/Repository and License Type
Usage on Owens and Pitzer
To set up your environment for rosetta load one of its modulefiles:
module load rosetta/3.10
Here is an example batch script that uses Rosetta Abinitio Relax application via the batch system:
# Example Rosetta Abinitio Relax application batch script. #PBS -N rosetta_abinitio_relax #PBS -j oe #PBS -m ae #PBS -l walltime=0:20:00 #PBS -l nodes=1:ppn=1 #PBS -S /bin/sh qstat -f $PBS_JOBID export module load intel module load rosetta module list cd $PBS_O_WORKDIR pbsdcp -rp $OSC_ROSETTA_HOME/demos/tutorials/denovo_structure_prediction/* $TMPDIR cd $TMPDIR AbinitioRelax.linuxiccrelease @input_files/options ls -l pbsdcp -rp '*' $PBS_O_WORKDIR