Rosetta Commons Relax Protocol

Setup

Current setup assumes an up-to-date docker-compose installed, and a prepared pdb file for relaxing.

Usage

Download this git repository and place the pdb in the same directory. Please change <inputfile> in docker-compose.yml to your pdb filename. Start the protocol by:

docker-compose up -d

Resulted files can be found in docker drive.

Licence and References

This image uses the following licences:

• [Ubuntu image] https://hub.docker.com/_/ubuntu/
• [Open MPI] https://www-lb.open-mpi.org/community/license.php
• [Rosetta Commons]https://www.rosettacommons.org/software/license-and-download