Rosetta
Description
The Rosetta software suite 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.
You may want to look also at CS-Rosetta.
License
Own licence. Then you have to confirm that you have accepted the academic licence here.
Usage
Upcoming modulesystem change alert!
Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.
You can test the new version now by adding a line
source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules
to your script before loading a module. Then, you can list all versions of rosetta and load default version of rosetta as
module avail rosetta/ # list available modules module load rosetta # load (default) module
If you wish to keep up to the current system, it is still possible. Simply list all modules by
module avail rosetta
and choose explicit version you want to use.
Notice: This application supports parallel computing (MPI, OpenMP) which can have weird consequences. For more details about parallel computing visit the page Parallelization.
Multiple versions are available, which you can see in
/software/rosetta/
Documentation
Documentation is at https://www.rosettacommons.org/docs/latest/Home .
Tutorials are also available for basic protocols. Files for these tutorials are available at
/software/rosetta/3.9/demos/tutorials
It is recommended by the Documentation to copy this folder to your own directory and carry out the protocols there.