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T400_Refinement.py File Reference

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Namespaces

 test.T400_Refinement
 

Variables

float test.T400_Refinement.kT = 1.0
 
int test.T400_Refinement.n_moves = 10
 
tuple test.T400_Refinement.pose = pose_from_pdb("../test/data/test_fragments.pdb")
 
tuple test.T400_Refinement.pose_frag = pose_from_pdb("../test/data/test_fragments.pdb")
 
tuple test.T400_Refinement.movemap = MoveMap()
 
tuple test.T400_Refinement.fragset3mer = ConstantLengthFragSet(3, "../test/data/test3_fragments")
 
tuple test.T400_Refinement.fragset9mer = ConstantLengthFragSet(9, "../test/data/test9_fragments")
 
tuple test.T400_Refinement.mover_3mer = ClassicFragmentMover(fragset3mer,movemap)
 
tuple test.T400_Refinement.scorefxn = get_score_function()
 
tuple test.T400_Refinement.smallmover = protocols.simple_moves.SmallMover(movemap,kT,n_moves)
 
tuple test.T400_Refinement.shearmover = ShearMover(movemap,kT,n_moves)
 
tuple test.T400_Refinement.minmover = protocols.simple_moves.MinMover()
 
tuple test.T400_Refinement.mc = MonteCarlo(pose, scorefxn, kT)