Research Object Crate for Protein MD Setup tutorial using BioExcel Building Blocks (biobb) in CWL

Common Workflow Language example that illustrate the process of setting up a simulation system containing a protein, step by step, using the [BioExcel Building Blocks](/projects/11) library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI). This workflow returns a resulting protein structure and simulated 3D trajectories.

Author

Genís Bayarri

License

Apache-2.0

Contents