This is a simple script to do FastDesign in pyrosetta based on resfile.
PyRosetta must already be installed. PyRosetta can be downloaded under license from the following link https://www.pyrosetta.org/home
Resfile syntax and conventions https://www.rosettacommons.org/docs/latest/rosetta_basics/file_types/resfiles
The resfile used in the demo was generated using gcndesign_resfile.py from Dr. Shintaro Minami's GCNdesign and modified.
GCNdesign https://github.com/ShintaroMinami/GCNdesign
python3 simplefastdesign.py -n 50 -r ./demo/7ec8A_mod.resfile ./demo/7ec8A.pdb
The original of this file is licensed under the license noted below.
Copyright (c) 2020 Shintaro Minami Originally under MIT license in GCNdesign, https://github.com/ShintaroMinami/GCNdesign/blob/master/scripts/gcndesign_autodesign.py