loops_kic.py File Reference

Namespaces
	loops_kic

Variables
int	loops_kic.MAX_KIC_BUILD_ATTEMPTS = 10000
list	loops_kic.args
tuple	loops_kic.p = Pose()
tuple	loops_kic.starting_p = Pose()
tuple	loops_kic.scorefxn_low = create_score_function( 'cen_std' )
tuple	loops_kic.scorefxn_high = create_score_function( 'standard', 'score12' )
tuple	loops_kic.pymol = rosetta.PyMOLMover()
int	loops_kic.loop_begin = 145
int	loops_kic.loop_end = 155
int	loops_kic.loop_cut = 150
tuple	loops_kic.my_loop = Loop( loop_begin, loop_end, loop_cut )
tuple	loops_kic.my_loops = Loops()
tuple	loops_kic.movemap = MoveMap()
tuple	loops_kic.kic_mover = KinematicMover()
tuple	loops_kic.to_centroid = protocols.simple_moves.SwitchResidueTypeSetMover( 'centroid' )
tuple	loops_kic.to_fullatom = protocols.simple_moves.SwitchResidueTypeSetMover( 'fa_standard' )
tuple	loops_kic.recover_sidechains = protocols.simple_moves.ReturnSidechainMover( starting_p )
tuple	loops_kic.task_pack = TaskFactory.create_packer_task( starting_p )
tuple	loops_kic.pack = protocols.minimization_packing.PackRotamersMover( scorefxn_high, task_pack )
tuple	loops_kic.mm = MoveMap()
float	loops_kic.tol = 0.001
string	loops_kic.min_type = "linmin"
tuple	loops_kic.linmin_mover = protocols.minimization_packing.MinMover( mm, scorefxn_low, min_type, tol, True )
tuple	loops_kic.starting_p_centroid = Pose()
	loops_kic.success = False
int	loops_kic.outer_cycles = 10
int	loops_kic.inner_cycles = 30
float	loops_kic.init_temp = 2.0
float	loops_kic.final_temp = 1.0
tuple	loops_kic.gamma = math.pow( ( final_temp/init_temp ),( 1.0/( outer_cycles*inner_cycles ) ) )
	loops_kic.kT = init_temp
tuple	loops_kic.mc = MonteCarlo( p, scorefxn_low, kT )
tuple	loops_kic.kic_start = randrange( loop_begin, loop_end - 1 )
tuple	loops_kic.kic_end = randrange( kic_start+2, loop_end+1 )
tuple	loops_kic.middle_offset = ( kic_end - kic_start )
	loops_kic.kic_middle = kic_start+middle_offset
tuple	loops_kic.rms = loop_rmsd( p, starting_p, my_loops )
tuple	loops_kic.loop_refine = LoopMover_Refine_KIC( my_loops )