src/python/bindings/loops.py File Reference

Namespaces
namespace	loops
Variables
tuple	loops::p = Pose()
tuple	loops::starting_p = Pose()
tuple	loops::scorefxn_low = create_score_function('cen_std')
tuple	loops::scorefxn_high = create_score_function_ws_patch('standard', 'score12')
int	loops::loop_begin = 77
int	loops::loop_end = 85
int	loops::cutpoint = 81
tuple	loops::my_loop = Loop( loop_begin, loop_end, cutpoint)
tuple	loops::movemap = MoveMap()
tuple	loops::fragset3mer = ConstantLengthFragSet(3, "test_in3_fragments")
tuple	loops::mover_3mer = ClassicFragmentMover(fragset3mer,movemap)
tuple	loops::ccd_closure = CcdLoopClosureMover(my_loop, movemap)
tuple	loops::to_centroid = SwitchResidueTypeSetMover('centroid')
tuple	loops::to_fullatom = SwitchResidueTypeSetMover('fa_standard')
tuple	loops::recover_sidechains = ReturnSidechainMover(starting_p)
tuple	loops::task_pack = TaskFactory.create_packer_task(starting_p)
tuple	loops::pack = PackRotamersMover( scorefxn_high, task_pack )
tuple	loops::starting_p_centroid = Pose()
tuple	loops::jd = Job_dist("loop_output", 100, scorefxn_high)
int	loops::outer_cycles = 10
int	loops::inner_cycles = 30
float	loops::init_temp = 2.0
float	loops::final_temp = 0.8
tuple	loops::gamma = math.pow((final_temp/init_temp),(1.0/(outer_cycles*inner_cycles)))
	loops::kT = init_temp
tuple	loops::mc = MonteCarlo(p, scorefxn_low, kT)
tuple	loops::my_loops = Loops()
tuple	loops::loop_refine = LoopMover_Refine_CCD(my_loops)
tuple	loops::Lrms = loop_rmsd(p, starting_p, my_loops, True)