Rosetta 3.3
Namespaces | Variables
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)
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