Rosetta
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Variables | |
extra_options | |
pose = core.import_pose.pose_from_file("../test/data/test_fragments.pdb") | |
scorefxn = create_score_function('ref2015') | |
weights = pose.energies().weights() | |
rsd1 = pose.residue(4); | |
rsd2 = pose.residue(5); | |
emap = core.scoring.EMapVector() | |
list | score_types = [] |
ii = rosetta.core.scoring.ScoreType(i) | |
end | |
hbond_set = rosetta.core.scoring.hbonds.HBondSet() | |
test.T200_Scoring.emap = core.scoring.EMapVector() |
Referenced by RotateSAXS.apply(), PepMinMover.apply(), RescoreSAXS.apply(), RamaTestMover.apply(), ScTrials.apply(), ScoreFunctionFingerprintMover.apply(), ConstraintStatsMover.calc_native_stats(), ConstraintStatsMover.calc_stats(), BacksideHbondFinderMover.check_for_hbonds(), compare_dna_energies(), compare_energies(), create_score_function_from_weights_and_refEs(), define_interface(), dna_chain_check(), do_color_by_score(), dump_clash_pdb(), myspace::DataClass.Emap_to_Evector(), CapriTotalEnergy.finalize_total_energy(), get_clash_pairs(), get_res_water_energy(), go_main(), has_clash(), intra_dna_stats(), is_clash(), main(), region_constraint_score(), rescore_test(), MyCI1B.residue_energy(), CapriTwoBodyEnergy.residue_pair_energy(), retrieve_residue_pair_energies(), ScoreEachBenchmark.run_long_ranged_two_body_energy(), ScoreEachBenchmark.run_one_body_energy(), ScoreEachBenchmark.run_short_ranged_two_body_energy(), scan_Evalue(), myspace.scan_Evalue(), myspace::DataClass.scan_Evalue(), myspace::DataClass.scan_Evalue_and_write(), SameResidueTypeConstraint.score(), CapriTotalEnergy.score_experimental_constraints(), score_residue_pair(), scoring_test(), show_clashes(), show_protein_DNA_interactions(), show_residue_residue_clashes(), spec_test(), sweep_params_from_match_constraint_file(), test_gb(), and write_respair_scores_to_database().
test.T200_Scoring.end |
test.T200_Scoring.extra_options |
test.T200_Scoring.hbond_set = rosetta.core.scoring.hbonds.HBondSet() |
Referenced by acc_store_hbs(), analyze_interface_test(), PepMinMover.apply(), ExposedStrandMover.apply(), HDmakerMover.apply(), xtal_water_bunsat.apply(), bunsats(), HDdesignMover.calc_bb_E(), cnl_store_hbs(), cnlres_store_hbs(), count_residue_hbonds(), don_store_hbs(), dump_hbond_pdb(), find_buried_unsatisfied_polars(), hbonds_to_ptnres(), is_hbond(), main(), measure_sequence_recovery(), not1_test(), print_hbonds_test(), sasa_bunsats(), save_contact_info(), show_protein_DNA_interactions(), show_rasmol_hbonds(), show_residue_hbonds(), store_hb_counts(), and vsasa_bunsats().
test.T200_Scoring.ii = rosetta.core.scoring.ScoreType(i) |
test.T200_Scoring.pose = core.import_pose.pose_from_file("../test/data/test_fragments.pdb") |
test.T200_Scoring.rsd1 = pose.residue(4); |
Referenced by dsRNA_grow.append_Aform_residue(), CustomMover.apply(), FaSolReporter.apply(), MPDomainAssembly.apply(), aro_pack_output(), aro_pack_pdbstats_from_pose(), atom_vdw_test(), build_helix_test(), build_on_helix(), build_toy_pose(), cal_distance(), calc_base_centroid_rmsd(), ch_o_pdbstats_from_pose(), check_contact_and_output(), check_oxygen_contact_and_output(), check_protein_rna_clash(), compare_dna_energies(), contact_model_prediction(), MPDomainAssembly.create_residue_from_resn(), MatchSet.cross(), MatchSet.cross_homodimer(), design_test(), dna_chain_check(), dna_dr_loop_test(), dock(), dump_clash_pdb(), fa_cenpack_pdbstats_from_pose(), find_dna_chainbreaks(), find_dsf(), find_hppatches_distance(), find_neighbors(), find_neighbors_directional(), find_rsd_nbrs(), gen_fold_tree_for_nbr_segments(), get_atom_lk_energy_by_residue_no_count_pair(), get_atom_vdw(), get_atomatom_rt(), get_contact_devs(), get_contact_list(), get_distance_around_rna_base(), get_distances(), get_distances_around_rna_backbone(), get_interface_energies(), get_interface_residues(), CrystDesign.get_interface_residues(), get_lj_atom_score(), get_n_pep_nbrs(), get_neighbor_residues(), CrystDesign.get_neighbor_residues(), get_perresE(), get_rmsd(), hbond_stats(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), ik_arg_glu_side(), ik_his_clamp(), ik_lys_ctp_asp(), ik_lys_ctp_glu(), MatchSet.init(), initialize_peptide(), intra_dna_stats(), myspace.is_contacting(), main(), MatchLig.MatchLig(), ClosabilityScore.miniPose_creator(), my_main(), not1_test(), ConstraintConfig.parse_config_file(), path_distance_OK(), pep_scan_analysis(), print_interres_bond(), rebuild_test(), CapriTwoBodyEnergy.residue_pair_energy(), rmsd_compute(), rmsd_over_base(), rna_build_helix_test_precompute(), rna_protein_pdbstats_test(), run_pep_prep(), RunPepSpec(), scoring_test(), set_stub_transform_test(), setup_rna_chainbreak_constraints(), show_residue_residue_clashes(), PhProtocol.titrate_pH(), and vdw_stats().
test.T200_Scoring.rsd2 = pose.residue(5); |
Referenced by CustomMover.apply(), FaSolReporter.apply(), aro_pack_output(), aro_pack_pdbstats_from_pose(), atom_vdw_test(), build_toy_pose(), cal_distance(), calc_base_centroid_rmsd(), ch_o_pdbstats_from_pose(), check_contact_and_output(), check_oxygen_contact_and_output(), check_protein_rna_clash(), compare_dna_energies(), contact_model_prediction(), MatchSet.cross(), MatchSet.cross_homodimer(), design_test(), dna_chain_check(), dna_dr_loop_test(), dock(), dump_clash_pdb(), fa_cenpack_pdbstats_from_pose(), find_dna_chainbreaks(), find_dsf(), find_hppatches_distance(), find_neighbors(), find_neighbors_directional(), find_rsd_nbrs(), gen_fold_tree_for_nbr_segments(), get_atom_lk_energy_by_residue_no_count_pair(), get_atom_vdw(), get_atomatom_rt(), get_contact_devs(), get_contact_list(), get_distance_around_rna_base(), get_distances(), get_distances_around_rna_backbone(), get_interface_energies(), get_interface_residues(), CrystDesign.get_interface_residues(), get_interface_type(), get_lj_atom_score(), get_n_pep_nbrs(), get_neighbor_residues(), CrystDesign.get_neighbor_residues(), get_num_nbrs(), get_perresE(), get_rmsd(), hbond_stats(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), ik_arg_glu_side(), ik_his_clamp(), ik_lys_ctp_asp(), ik_lys_ctp_glu(), MatchSet.init(), initialize_peptide(), intra_dna_stats(), myspace.is_contacting(), is_interface_heavyatom_pair(), kono_sarai_stats(), kono_sarai_zscore(), main(), MatchLig.MatchLig(), ClosabilityScore.miniPose_creator(), my_main(), not1_test(), ConstraintConfig.parse_config_file(), path_distance_OK(), pep_scan_analysis(), phosphate_stats(), place_water_acceptor(), place_water_donor(), dsRNA_grow.prepend_Aform_residue(), print_interres_bond(), CapriTwoBodyEnergy.residue_pair_energy(), rmsd_compute(), rmsd_over_base(), rna_build_helix_test_precompute(), rna_protein_pdbstats_test(), run_pep_prep(), RunPepSpec(), scoring_test(), set_stub_transform_test(), setup_rna_chainbreak_constraints(), show_residue_residue_clashes(), PhProtocol.titrate_pH(), vdw_stats(), and water_test_fixed_O().
list test.T200_Scoring.score_types = [] |
Referenced by calc_rama_scores(), RunPepSpec(), and simple_opte_test().
test.T200_Scoring.scorefxn = create_score_function('ref2015') |
test.T200_Scoring.weights = pose.energies().weights() |