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