| calculate_protein_CoM(core::pose::Pose const &protein_pose) | protocols::pockets::NonPlaidFingerprint | |
| change_CoM_to_ligandCoM(numeric::xyzVector< core::Real > const &ligandCoM) | protocols::pockets::NonPlaidFingerprint | |
| CHEAT_CoM(numeric::xyzVector< core::Real > const &inp_CoM) | protocols::pockets::FingerprintBase | inline |
| choose_origin_with_lowest_eggshell_ruggedness(core::pose::Pose const &protein_pose, std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell) | protocols::pockets::NonPlaidFingerprint | |
| CoM() const | protocols::pockets::FingerprintBase | inline |
| CoM_ | protocols::pockets::FingerprintBase | protected |
| combine_xyz_lists(std::list< numeric::xyzVector< core::Real > > const &xyz_list_1, std::list< numeric::xyzVector< core::Real > > const &xyz_list_2) | protocols::pockets::NonPlaidFingerprint | |
| convert_cart_to_spherical_and_round(std::list< numeric::xyzVector< core::Real > > const &xyz_list) | protocols::pockets::NonPlaidFingerprint | |
| convert_spherical_list_to_cartesian_list(std::list< spherical_coor_triplet > const &unique_triplet) | protocols::pockets::NonPlaidFingerprint | |
| egg_and_ext_list_ | protocols::pockets::NonPlaidFingerprint | |
| eggshell_list_ | protocols::pockets::NonPlaidFingerprint | |
| esp_dim_ | protocols::pockets::NonPlaidFingerprint | |
| esp_mid_ | protocols::pockets::NonPlaidFingerprint | |
| esp_spacing_ | protocols::pockets::NonPlaidFingerprint | |
| espGrid_ | protocols::pockets::NonPlaidFingerprint | |
| extshell_list_ | protocols::pockets::NonPlaidFingerprint | |
| FingerprintBase() | protocols::pockets::FingerprintBase | |
| get_electrostatics_energy(core::pose::Pose const &ligand_pose) | protocols::pockets::NonPlaidFingerprint | |
| get_interpolated_esp_energy(numeric::xyzVector< core::Real > const &ligand_atom, core::Real const &atom_charge) | protocols::pockets::NonPlaidFingerprint | |
| get_interpolated_esp_energy_with_type(numeric::xyzVector< core::Real > const &ligand_atom, core::Real const &atom_charge) | protocols::pockets::NonPlaidFingerprint | |
| get_nearest_neighbour_esp_energy(numeric::xyzVector< core::Real > const &ligand_atom, core::Real const &atom_charge) | protocols::pockets::NonPlaidFingerprint | |
| get_pose_resnum(int const pdbnum, char const pdbchn, core::pose::Pose const &ps) | protocols::pockets::NonPlaidFingerprint | |
| get_Rvalue(core::pose::Pose const &protein_pose, std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell, core::Size const &set_origin_option) | protocols::pockets::NonPlaidFingerprint | |
| get_surface_esp(std::list< numeric::xyzVector< core::Real > > const &surfacePoints_list, std::string const &inp_espGrid_fname) | protocols::pockets::NonPlaidFingerprint | |
| include_eggshell_points_based_on_known_ligand(core::pose::Pose const &known_ligand_pose, core::Real const &trim_dist) | protocols::pockets::NonPlaidFingerprint | |
| multi_origin_list() const | protocols::pockets::FingerprintBase | inline |
| multi_origin_list_ | protocols::pockets::FingerprintBase | protected |
| NonPlaidFingerprint() | protocols::pockets::NonPlaidFingerprint | |
| num_origins() const | protocols::pockets::FingerprintBase | inline |
| num_origins_ | protocols::pockets::FingerprintBase | protected |
| origin() const | protocols::pockets::FingerprintBase | inline |
| origin_ | protocols::pockets::FingerprintBase | protected |
| place_origin_point(core::Real const &angle) | protocols::pockets::NonPlaidFingerprint | |
| pocket_CoM_ | protocols::pockets::NonPlaidFingerprint | |
| pocketGrid_dim_ | protocols::pockets::FingerprintBase | |
| pocketGrid_mid_ | protocols::pockets::FingerprintBase | |
| pocketGrid_spacing_ | protocols::pockets::FingerprintBase | |
| print_to_file(std::string const &output_filename) const | protocols::pockets::FingerprintBase | |
| print_to_pdb(std::string const &output_pdbname) const | protocols::pockets::FingerprintBase | |
| print_to_pdb(std::string const &output_pdbname, numeric::xyzVector< core::Real > const &translation) const | protocols::pockets::FingerprintBase | |
| remove_duplicate_phi_psi(std::list< spherical_coor_triplet > const &rounded_triplet) | protocols::pockets::NonPlaidFingerprint | |
| set_multiple_origin(core::pose::Pose const &protein_pose, std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell) | protocols::pockets::NonPlaidFingerprint | |
| set_origin(core::pose::Pose const &protein_pose, std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell) | protocols::pockets::NonPlaidFingerprint | |
| set_origin_away_from_eggshell(std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell, core::pose::Pose const &protein_pose) | protocols::pockets::NonPlaidFingerprint | |
| set_origin_away_from_eggshell_plane(std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell, core::pose::Pose const &protein_pose, core::Size const &set_origin_option) | protocols::pockets::NonPlaidFingerprint | |
| set_origin_away_from_protein_center(core::pose::Pose const &protein_pose) | protocols::pockets::NonPlaidFingerprint | |
| set_origin_from_option_(core::pose::Pose const &protein_pose, std::list< numeric::xyzVector< core::Real > > const &egg_and_extra_shell, core::Size const &set_origin_option) | protocols::pockets::NonPlaidFingerprint | |
| set_origin_from_residue(core::pose::Pose const &protein_pose) | protocols::pockets::NonPlaidFingerprint | |
| set_rho_to_zero(std::list< spherical_coor_triplet > const &rounded_triplet) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_ConnollySurface(core::pose::Pose const &protein_pose, PocketGrid const &pocket_grid, PocketGrid const &grid_for_extshell) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_eggshell_pdb_file(std::string const &input_filename) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_eggshell_triplet_file(std::string const &input_filename) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_EggshellGrid() | protocols::pockets::NonPlaidFingerprint | |
| setup_from_espGrid(std::string const &input_filename, core::pose::Pose const &protein_pose, bool delphi) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_PlaidFingerprint(PlaidFingerprint const &pfp) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_PocketGrid(core::pose::Pose const &protein_pose, PocketGrid const &pocket_grid) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_PocketGrid(core::pose::Pose const &protein_pose, PocketGrid const &pocket_grid, PocketGrid const &grid_for_extshell) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_PocketGrid_and_known_ligand(core::pose::Pose const &protein_pose, PocketGrid const &pocket_grid, PocketGrid const &grid_for_extshell, core::pose::Pose const &known_ligand_pose, core::Real const &trim_dist) | protocols::pockets::NonPlaidFingerprint | |
| setup_from_PocketGrid_using_bound_ligand(core::pose::Pose const &protein_pose, PocketGrid const &pocket_grid, PocketGrid const &grid_for_extshell, core::pose::Pose const &known_ligand_pose) | protocols::pockets::NonPlaidFingerprint | |
| trim_based_on_known_ligand(core::pose::Pose const &known_ligand_pose) | protocols::pockets::NonPlaidFingerprint | |
| triplet_fingerprint_data() const | protocols::pockets::FingerprintBase | inline |
| triplet_fingerprint_data_ | protocols::pockets::FingerprintBase | protected |
| typGrid_ | protocols::pockets::NonPlaidFingerprint | |
| write_eggshell_to_pdb_file(std::string const &output_eggshell_name) const | protocols::pockets::NonPlaidFingerprint | |
| ~FingerprintBase() override | protocols::pockets::FingerprintBase | |
| ~NonPlaidFingerprint() override | protocols::pockets::NonPlaidFingerprint | |
1.8.7