Rosetta
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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) | |
test_terpenes.chm = rosetta.core.chemical.ChemicalManager.get_instance() |
int test_terpenes.i = ii + 1 |
test_terpenes.inner = conformation.ResidueFactory.create_residue(rts.name_map("isoprene")) |
Referenced by bind_T15_inner_class_fwd(), dna_stats(), main(), numeric::random::mt19937_RG.period_certification(), and zf_relax_test().
test_terpenes.lower = conformation.ResidueFactory.create_residue(rts.name_map("isoprene:terpene_lower_full")) |
Referenced by numeric::random.binary_search_cdf(), numeric::geometry::hashing::SixDCoordinateBinner.bounding_volume_from_index(), numeric::interpolation::Histogram< X, Y >.derivative_linear(), erraser_wrapper.erraser_minimize(), erraser_util.extract_pdb(), detail.fallback_format(), numeric::kdtree.get_percentile_bounds(), numeric::kdtree.hr_intersects_hs(), numeric::interpolation::Histogram< X, Y >.interpolate_linear(), setup_for_complex_scoring_general.main(), main(), detail::bigint.multiply(), numeric::kdtree.nearest_neighbor(), erraser_util.rna_rosetta_ready_set(), erraser_wrapper.seq_rebuild_new(), ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.set_energy_range(), erraser_wrapper.SWA_rebuild_erraser(), numeric::kdtree.transform_percentile(), and numeric::kdtree.transform_percentile_single_pt().
test_terpenes.mcscore |
test_terpenes.min = MinMover(mm, score_fxn, "lbfgs_armijo_nonmonotone", 0.01, True) |
test_terpenes.naccept |
Referenced by doit().
test_terpenes.nreject |
test_terpenes.nthermal |
test_terpenes.pose = mcpose |
test_terpenes.resi = int(numeric.random.rg().uniform() * pose.total_residue() + 1) |
test_terpenes.rts = chm.residue_type_set('fa_standard').get_self_ptr() |
test_terpenes.score_fxn = get_score_function() |
test_terpenes.tori = int(numeric.random.rg().uniform() * (pose.residue(resi).mainchain_torsions().size() - 1) + 2) |
test_terpenes.torval |
test_terpenes.upper = conformation.ResidueFactory.create_residue(rts.name_map("isoprene:terpene_upper_full")) |
Referenced by numeric::random.binary_search_cdf(), numeric::geometry::hashing::SixDCoordinateBinner.bounding_volume_from_index(), numeric::interpolation::Histogram< X, Y >.derivative_linear(), detail.fallback_format(), detail.format_uint(), numeric::kdtree.get_percentile_bounds(), numeric::kdtree.hr_intersects_hs(), numeric::interpolation::Histogram< X, Y >.interpolate_linear(), arls_impl.main(), pdb_to_molfile.main(), sidechain_cst_3.main(), main(), detail::bigint.multiply(), numeric::kdtree.nearest_neighbor(), ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.set_energy_range(), detail.to_nonnegative_int(), numeric::kdtree.transform_percentile(), and numeric::kdtree.transform_percentile_single_pt().