Rosetta
Variables
test_terpenes Namespace Reference

Variables

 chm = rosetta.core.chemical.ChemicalManager.get_instance()
 
 rts = chm.residue_type_set('fa_standard').get_self_ptr()
 
 score_fxn = get_score_function()
 
 lower = conformation.ResidueFactory.create_residue(rts.name_map("isoprene:terpene_lower_full"))
 
 inner = conformation.ResidueFactory.create_residue(rts.name_map("isoprene"))
 
 upper = conformation.ResidueFactory.create_residue(rts.name_map("isoprene:terpene_upper_full"))
 
int i = ii + 1
 
tuple before_score = ( *score_fxn )( pose )
 
 mcpose = Pose(pose)
 
 naccept
 
 nthermal
 
 nreject
 
 resi = int(numeric.random.rg().uniform() * pose.total_residue() + 1)
 
 tori = int(numeric.random.rg().uniform() * (pose.residue(resi).mainchain_torsions().size() - 1) + 2)
 
 torval
 
 mcscore
 
 pose = mcpose
 
 min = MinMover(mm, score_fxn, "lbfgs_armijo_nonmonotone", 0.01, True)
 

Variable Documentation

◆ before_score

test_terpenes.before_score = ( *score_fxn )( pose )

◆ chm

test_terpenes.chm = rosetta.core.chemical.ChemicalManager.get_instance()

◆ i

int test_terpenes.i = ii + 1

◆ inner

test_terpenes.inner = conformation.ResidueFactory.create_residue(rts.name_map("isoprene"))

◆ lower

test_terpenes.lower = conformation.ResidueFactory.create_residue(rts.name_map("isoprene:terpene_lower_full"))

◆ mcpose

test_terpenes.mcpose = Pose(pose)

◆ mcscore

test_terpenes.mcscore

◆ min

test_terpenes.min = MinMover(mm, score_fxn, "lbfgs_armijo_nonmonotone", 0.01, True)

◆ naccept

test_terpenes.naccept

Referenced by doit().

◆ nreject

test_terpenes.nreject

◆ nthermal

test_terpenes.nthermal

◆ pose

test_terpenes.pose = mcpose

◆ resi

test_terpenes.resi = int(numeric.random.rg().uniform() * pose.total_residue() + 1)

◆ rts

test_terpenes.rts = chm.residue_type_set('fa_standard').get_self_ptr()

◆ score_fxn

test_terpenes.score_fxn = get_score_function()

◆ tori

test_terpenes.tori = int(numeric.random.rg().uniform() * (pose.residue(resi).mainchain_torsions().size() - 1) + 2)

◆ torval

test_terpenes.torval

◆ upper

test_terpenes.upper = conformation.ResidueFactory.create_residue(rts.name_map("isoprene:terpene_upper_full"))