The scripts and input files that accompany this demo can be found in the demos/protocol_captures directory of the Rosetta weekly releases.

This is a protocol capture, and represents the protocol at a fixed point in time. It may not work with the current version of Rosetta.


Follow the steps below. Example inputs and outputs are provided in the respective folders. Three different options are provided for variable flexibility: only mutates and repacks the mutated residue mutates and repacks within a radius of the mutation site mutates and refines the entire protein with sidechain optimization.

1) Adjust the paths for the Rosetta executable and database in the cmd_mutate<...>.sh scripts. Make sure you understand the options in the cmd files.

While mutate and mutate_repack only require a single output model, mutate_relax requires more models. Choose a number between 50 and 1,000 for production runs, depending on the computational resources.

2) Run the scripts:

./ ./ ./

3) Check your output: the relevant output files have the desired mutation in the filename. Scores can be found in the PDBs after the ATOM lines.