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T400_Refinement.py File Reference

Namespaces

 test.T400_Refinement
 

Variables

float test.T400_Refinement.kT = 1.0
 
int test.T400_Refinement.n_moves = 10
 
tuple test.T400_Refinement.pose = core.import_pose.pose_from_file("../test/data/test_fragments.pdb")
 
tuple test.T400_Refinement.pose_frag = core.import_pose.pose_from_file("../test/data/test_fragments.pdb")
 
tuple test.T400_Refinement.movemap = MoveMap()
 
tuple test.T400_Refinement.fragset3mer = core.fragment.ConstantLengthFragSet(3, "../test/data/test3_fragments")
 
tuple test.T400_Refinement.fragset9mer = core.fragment.ConstantLengthFragSet(9, "../test/data/test9_fragments")
 
tuple test.T400_Refinement.mover_3mer = protocols.simple_moves.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 = protocols.simple_moves.ShearMover(movemap, kT, n_moves)
 
tuple test.T400_Refinement.minmover = protocols.minimization_packing.MinMover()
 
tuple test.T400_Refinement.mc = MonteCarlo(pose, scorefxn, kT)
 
tuple test.T400_Refinement.ab = protocols.abinitio.ClassicAbinitio(fragset3mer, fragset9mer, movemap)
 
tuple test.T400_Refinement.seqmover = protocols.moves.SequenceMover()
 
tuple test.T400_Refinement.trialmover = TrialMover(mover_3mer, mc)