I am trying to relax a structure while also applying constraints on spesific locations in order to force these locations to be a spesific distance appart.
so far my code is as follows:
constraints = pyrosetta.rosetta.protocols.simple_moves.ConstraintSetMover() constraints.constraint_file('constraints.cst') constraints.add_constraints(True) constraints.apply(pose) scorefxn = get_fa_scorefxn() relax = pyrosetta.rosetta.protocols.relax.FastRelax() relax.set_scorefxn(scorefxn) relax.constrain_relax_to_start_coords(True) relax.constrain_coords(True) relax.apply(pose) pose.dump_pdb('structure.pdb')
I think what I wrote is complete non-sense because it is not working at all. Can someone guide me to the correct way to preform relax with constraints in PyRosetta?