|
| | docking.p = Pose() |
| |
| | docking.starting_p = Pose() |
| |
| | docking.dock_prot = DockingProtocol() |
| |
| int | docking.dock_jump = 1 |
| |
| | docking.scorefxn_low = create_score_function('interchain_cen') |
| |
| | docking.scorefxn_high = create_score_function('docking') |
| |
| | docking.scorefxn_high_min = create_score_function('docking','docking_min') |
| |
| | docking.to_centroid = protocols.simple_moves.SwitchResidueTypeSetMover('centroid') |
| |
| | docking.to_fullatom = protocols.simple_moves.SwitchResidueTypeSetMover('fa_standard') |
| |
| | docking.recover_sidechains = protocols.simple_moves.ReturnSidechainMover(starting_p) |
| |
| | docking.randomize1 = RigidBodyRandomizeMover(p, dock_jump, rigid.partner_upstream) |
| |
| | docking.randomize2 = RigidBodyRandomizeMover(p, dock_jump, rigid.partner_downstream) |
| |
| | docking.dock_pert = RigidBodyPerturbMover(dock_jump, 3, 8) |
| |
| | docking.spin = RigidBodySpinMover( dock_jump ) |
| |
| | docking.slide_into_contact = protocols.docking.DockingSlideIntoContact( dock_jump ) |
| |
| | docking.docking_lowres = DockingLowRes( scorefxn_low, dock_jump ) |
| |
| | docking.docking_highres = DockingHighRes( scorefxn_high_min, dock_jump ) |
| |
| | docking.jd = PyJobDistributor("dock_output", 20, scorefxn_high) |
| |
| | docking.native_pose |
| |
| | docking.starting_p_centroid = Pose() |
| |
