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Rosetta
2021.16
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Rosetta
2021.16
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This is the complete list of members for protocols::pockets::PlaidFingerprint, including all inherited members.
| apply_rotation_offset_to_pose_(core::pose::Pose &pose, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset) const | protocols::pockets::PlaidFingerprint | private |
| calculate_ligand_CoM(core::pose::Pose const &ligand_pose) | protocols::pockets::PlaidFingerprint | |
| CHEAT_CoM(numeric::xyzVector< core::Real > const &inp_CoM) | protocols::pockets::FingerprintBase | inline |
| CoM() const | protocols::pockets::FingerprintBase | inline |
| CoM_ | protocols::pockets::FingerprintBase | protected |
| compute_ligand_natoms(core::pose::Pose const &pose) const | protocols::pockets::PlaidFingerprint | |
| compute_ligand_natoms() const | protocols::pockets::PlaidFingerprint | inline |
| compute_ligand_natoms_with_hydrogens(core::pose::Pose const &pose) const | protocols::pockets::PlaidFingerprint | |
| compute_ligand_natoms_with_hydrogens() const | protocols::pockets::PlaidFingerprint | inline |
| compute_ligand_nconformers(core::pose::Pose const &pose) const | protocols::pockets::PlaidFingerprint | |
| compute_ligand_nconformers() const | protocols::pockets::PlaidFingerprint | inline |
| compute_ligand_resnum(core::pose::Pose const &pose) const | protocols::pockets::PlaidFingerprint | |
| compute_ligand_resnum() const | protocols::pockets::PlaidFingerprint | inline |
| DarcParticleSwarmMinimizer class | protocols::pockets::PlaidFingerprint | friend |
| derivs_of_ray_distances_ | protocols::pockets::PlaidFingerprint | private |
| dump_oriented_pose_and_fp_to_pdb(std::string const &pose_filename, std::string const &fp_filename, FingerprintBase &fp, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset) | protocols::pockets::PlaidFingerprint | |
| dump_oriented_pose_and_fp_to_pdb(std::string const &pose_filename, std::string const &fp_filename, FingerprintBase &fp, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, utility::vector1< core::Real > const &original_pocket_angle_transform) | protocols::pockets::PlaidFingerprint | |
| dump_oriented_pose_and_fp_to_pdb(std::string const &pose_filename, std::string const &fp_filename, FingerprintBase &fp, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, numeric::xyzVector< core::Real > const &CoM_offset) | protocols::pockets::PlaidFingerprint | |
| dump_oriented_pose_and_fp_to_pdb(std::string const &pose_filename, std::string const &fp_filename, FingerprintBase &fp, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, utility::vector1< core::Real > const &original_pocket_angle_transform, numeric::xyzVector< core::Real > const &CoM_offset) | protocols::pockets::PlaidFingerprint | |
| find_optimal_rotation(FingerprintBase &fp, core::Real const &angle_increment, core::Real &optimal_angle1, core::Real &optimal_angle2, core::Real &optimal_angle3, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight) | protocols::pockets::PlaidFingerprint | |
| find_optimal_rotation(FingerprintBase &fp, core::Real const &angle_increment, core::Real &optimal_angle1, core::Real &optimal_angle2, core::Real &optimal_angle3, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight, numeric::xyzVector< core::Real > const &no_CoM_offset) | protocols::pockets::PlaidFingerprint | |
| FingerprintBase() | protocols::pockets::FingerprintBase | |
| FingerprintMultifunc class | protocols::pockets::PlaidFingerprint | friend |
| fp_compare(FingerprintBase &fp, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight) const | protocols::pockets::PlaidFingerprint | |
| fp_compare_deriv(FingerprintBase &fp, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight, core::Real &dE_dx, core::Real &dE_dy, core::Real &dE_dz, core::Real &dE_dv4, core::Real &dE_dv5, core::Real &dE_dv6) const | protocols::pockets::PlaidFingerprint | |
| get_oriented_pose(FingerprintBase &fp, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, numeric::xyzVector< core::Real > const &CoM_offset, core::Size const conformer) | protocols::pockets::PlaidFingerprint | |
| get_oriented_pose(FingerprintBase &fp, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, utility::vector1< core::Real > const &original_pocket_angle_transform, numeric::xyzVector< core::Real > const &CoM_offset, core::Size const conformer) | protocols::pockets::PlaidFingerprint | |
| move_ligand_and_update_rhos_(FingerprintBase &fp, numeric::xyzVector< core::Real > const &CoM_offset, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, core::Size const &conformer, bool const update_derivatives=false) | protocols::pockets::PlaidFingerprint | inline |
| multi_origin_list() const | protocols::pockets::FingerprintBase | inline |
| multi_origin_list_ | protocols::pockets::FingerprintBase | protected |
| num_origins() const | protocols::pockets::FingerprintBase | inline |
| num_origins_ | protocols::pockets::FingerprintBase | protected |
| origin() const | protocols::pockets::FingerprintBase | inline |
| origin_ | protocols::pockets::FingerprintBase | protected |
| PlaidFingerprint(core::pose::Pose const &input_pose, FingerprintBase &fp) | protocols::pockets::PlaidFingerprint | |
| PlaidFingerprint() | protocols::pockets::PlaidFingerprint | private |
| pocketGrid_dim_ | protocols::pockets::FingerprintBase | |
| pocketGrid_mid_ | protocols::pockets::FingerprintBase | |
| pocketGrid_spacing_ | protocols::pockets::FingerprintBase | |
| pose() | protocols::pockets::PlaidFingerprint | inline |
| pose_ | protocols::pockets::PlaidFingerprint | private |
| 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 | |
| rmsd(core::pose::Pose const &original_pose, core::pose::Pose const &oriented_pose) | protocols::pockets::PlaidFingerprint | |
| search_random_poses(FingerprintBase &fp, core::Size const &num_pose_search, core::Real &optimal_angle1, core::Real &optimal_angle2, core::Real &optimal_angle3, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight) | protocols::pockets::PlaidFingerprint | |
| search_random_poses(FingerprintBase &fp, core::Size const &num_pose_search, core::Real &optimal_angle1, core::Real &optimal_angle2, core::Real &optimal_angle3, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight, numeric::xyzVector< core::Real > const &no_CoM_offset) | protocols::pockets::PlaidFingerprint | |
| select_conf_and_move_ligand_(FingerprintBase &fp, numeric::xyzVector< core::Real > const &CoM_offset, core::Real const &angle1_offset, core::Real const &angle2_offset, core::Real const &angle3_offset, core::Size const &conformer) | protocols::pockets::PlaidFingerprint | private |
| triplet_fingerprint_data() const | protocols::pockets::FingerprintBase | inline |
| triplet_fingerprint_data_ | protocols::pockets::FingerprintBase | protected |
| update_rhos_(FingerprintBase &fp, core::conformation::ResidueCOP curr_ligand_rsd, bool const update_derivatives=false) | protocols::pockets::PlaidFingerprint | private |
| ~FingerprintBase() override | protocols::pockets::FingerprintBase |
1.8.7