The Design API runs the rosetta Rosetta FastDesign protocol given an input PDB file and a residue file (resfile). FastDesign performs FastRelax with design enabled to create designed structures for residue parameters defined by the input resfile (See References for more information on the FastDesign protocol)
| Table of Contents |
|---|
Quickstart
Run design on an input structure to generate 10 new design models
| Code Block |
|---|
cyrus engine submit design --pdb-file=input.pdb --res-file=input.res --repeats 10 |
Inputs
--pdb-fileInput PDB file to run design on
The PDB file should be cleaned prior to input using the Clean PDB API.
...
--res-fileInput residue file
The resfile is a standard Rosetta
...
resfile, documented here: https://www.rosettacommons.org/docs/latest/rosetta_basics/file_types/resfiles
The API is used as follows:
...
Options
--repeats
...
(int32)
Number of iterations to relax
default = 1
Output
models.tgzDesigned models