![]() |
Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
|
| NSBL | |
| NAF_filtrations | |
| CAF_filtrations_result | \sbl_add_package_main_class{sbl-package-name, SBL.AF_filtrations.AF_filtrations_result , Long: Class storing all results for the pLDDT/arity analysis using filtrations Short: Class storing all results for the pLDDT/arity analysis using filtrations } i################################################################################ |
| NAF_filtrations_batch | |
| CAF_filtrations_directory | \sbl_add_package_main_class{PDB_utilities, SBL::AF_filtrations::AF_filtrations_directory, Long: class implementing the arity based operations for all files in a directory Short: class implementing the arity based operations for all files in a directory } i################################################################################ |
| CAF_filtrations_directory_static | \sbl_add_package_main_class{PDB_utilities, SBL::AF_filtrations::AF_filtrations_parallel, Long: class implementing the arity based operations for a directory in parallel mode Short: class implementing the arity based operations for a directory in parallel mode } i################################################################################ |
| Nalpha_complex_of_molecular_model_post_analysis_services | |
| CSummaryWriter | |
| CTHREEJSBuilder | |
| Nalphafold_dbrun_post_analysis_services | |
| CStatsParser | |
| CTableWriter | |
| NBatch_manager | |
| CBM_Batch | |
| CBM_Database | |
| CBM_Dataset | |
| CBM_IFO_set | Set of input file options with multiple values |
| CBM_Run_specification_ensemble | |
| CBM_Run_specification_tuple | |
| Nbif_post_analysis_services | |
| CSummaryWriter | |
| NBinding_affinity_utils | |
| CExec_runner | |
| NCADS | |
| CD_Solution | The solution space for the Maximum Spanning tree algorithm |
| CDirected_acyclic_graph_default_property | Default data structure containing information associated to an edge or a vertex of a directed acyclic graph |
| CIs_product_edge_default | Default functor for product edge always returning true |
| CIs_product_vertex_default | Default functor for product vertex always returning true |
| CMaximum_spanning_tree_property | The solution space for the maximum spanning tree algorithm |
| CT_Cell_complex_shelling_diagram | Diagram representing the shelling order of a cell complex |
| CT_Container_of_containers_const_iterator | Iterator iterator over nested non-mutable containers |
| CT_Container_of_containers_iterator | Iterator iterator over nested mutable containers |
| CT_Container_of_containers_iterator_base | Base representation of an iterator over nested containers |
| CT_Dijkstra_shortest_paths_with_landmarks | Brief todo |
| CT_Directed_acyclic_graph | Generic representation of a directed acyclic graph |
| CT_Directed_acyclic_graph_with_layers | Generic representation of a directed acyclic graph with layers |
| CT_Earth_mover_distance | Earth mover distance algorithm using lp_solve software for solving linear program problems |
| CT_Earth_mover_distance_connectivity_constraints_checker | Functor measuring the violation of the connectivity constraints of any Earth Mover Distance algorithm |
| CT_Earth_mover_distance_transportation_plan | Transportation plan for the Earth Mover Distance algorithms |
| CT_Earth_mover_distance_vertices_accessor_graph | Accessors for weighted vertices stored in a boost graph |
| CT_Earth_mover_distance_vertices_accessor_vector | Accessors for weighted vertices stored in a simple vector with no connectivity |
| CT_Earth_mover_distance_with_connectivity_constraints | Earth mover distance algorithm with connectivity constraints on the input data |
| CT_Edge_product_graph_builder | Builder class for edge product graphs |
| CT_Edge_product_graph_traits | Traits clas defining types for an edge product graph |
| CT_EMD_CC_stat_triple | Internal data structure used to store information for the transportation plan |
| CT_EMD_distance_default | Default distance used by the EMD algorithm returning always the null distance |
| CT_EMD_LP_LP_format_writer | Writing a LP problem using the LP format |
| CT_EMD_LP_MPS_format_writer | Writing a LP problem using the MPS format |
| CT_Geodesic_distances_generation | Brief todo |
| CT_Greedy_selection | Generic greedy selection algorithm of arrangements of cells |
| CT_Greedy_selection_incremental | Generic Greedy selection algorithm of arrangements of cells |
| CT_Maximum_clique_finder | Functor returning the vertices of a maximum clique of an input graph |
| CT_Maximum_spanning_tree_generator | Generates a Maximum spanning tree over a given graph (using boost::graph) |
| CNegative_graph_vertex_property | To compute the Maximum spanning tree, we use a negative version of the original graph |
| CT_Minimal_oriented_spanning_forest_Boruvka | Minimal Spanning Forest algorithm |
| CT_Ordered_forest_edit_distance | Generic Forest Edit Distance algorithm for ordered forests |
| CT_Product_graph_builder | Builder class for product graphs |
| CT_Random_spanning_tree_generator | Generates a Random spanning tree over a given graph (using boost::graph) |
| CT_Random_spanning_tree_property | The solution space for the random spanning tree algorithm |
| CT_Shelling_diagram_vertex_property | Info attached to a vertex of a T_Cell_complex_shelling_diagram |
| CT_Spanning_tree_solver | A heuristic algorithm to solve the D-Family-matching problem by using spanning trees |
| CT_Sub_graph | A superstructure over the Graph used to represent non-induced sub-graphs |
| CSub_vertex_property | Sub graph vertex property (wee link it to the vertex it represents in the Graph) |
| CT_Tree | A superstructure over the Graph used to represent trees |
| CT_Tree_solver | A dynamic programming algorithm which solves the D family matching problem for trees |
| CT_Union_find_base | Base class implementing the Union-Find data structure |
| CDescendants_iterator | Iterator over the descendants of a given vertex |
| CT_Union_find_contains | Union-Find data structure where the vertices contains a data |
| CT_Union_find_contains_with_map | Union-Find data structure where the vertices contains a data |
| CT_Union_find_specializes | Union-Find data structure where the vertices inherit from a data type |
| CT_Union_find_vertex_data_structure_contains | Representation of a vertex in the Union-Find data structure containing a data |
| CT_Union_find_vertex_data_structure_specializes | Representation of a vertex of the Union-Find data structure inheriting a data type |
| CT_Vertex_product_graph_builder | Builder class for vertex product graphs |
| CT_Vertex_product_graph_traits | Traits clas defining types for a vertex product graph |
| CUnion_find_default | Default Union-Find data structure with no data attached to the vertices |
| CUnion_find_vertex_data_structure_base | Base representation of a vertex in the Union-Find data structure |
| NCombinations_of_variables_model_evaluation | |
| CCombinations_of_variables_model_evaluation | |
| COverall_default_anaysis | Overall analysis provided in our paper |
| CPer_model_binding_affinity_analysis | Analysis for each model provided in our paper |
| CPer_model_default_analysis | Analysis for each model provided in our paper |
| NConnectivity_inference_analysis | |
| CMCI_analysis | |
| CMCI_output_preprocessing | |
| NConnectivity_inference_data_structures | |
| CMCI_regex | A set of static regular expression to parse specification files and results files |
| CMCI_set_of_contacts | |
| CMCI_solutions | |
| CMCI_specification | |
| CMCI_string_tools | Cleaning/Trimming the string before use Endline characters are removed, double spaces to single spaces, space at the beginning of the line are removed |
| NConnectivity_inference_engine | |
| CMCI_MILP_engine | |
| NCSB | |
| CCoarse_atom | |
| CCoarse_atoms_iterators | |
| CCoarse_creator_closest_to_barycenter | |
| CCoarse_creator_two_barycenters | |
| CCoarse_residue | |
| CContact_map_for_one_ctype | Records pairs of interacting residues for one contact type |
| CContants_for_embedding | Values obtained when converting constraints to polynomial coefficients and used once more to convert roots to cartesian embeddings of solution in tripeptide loop closure |
| CDefault_system_items | |
| CMolecular_alignment_default | Make an alignment between two molecules with the same numbers of atoms, with the same order |
| CMolecular_atom | A class representing a molecular atom |
| CMolecular_chain | A class representing a molecular chain |
| CMolecular_coordinates_utilities | Class with static methods for internal coordinates computations |
| CMolecular_model | A class representing a molecular model |
| CMolecular_residue | A class representing a molecular residue |
| CMolecular_secondary_structure_element | A class representing a secondary structure element |
| CMolecular_SS_bond | A class representing a SS bond between two residues |
| CMolecular_system | A class representing a molecular system |
| CPairwise_contacts_for_polypeptide_chain | |
| CSystem_items_with_coarse_grain | |
| CT_AD_buffer | Todo |
| CT_AD_stack | Todo |
| CT_Aligner_sequence_seqan_wrapper | Wrapper of the Seqan algorithm for aligning pairwise sequences |
| CT_Aligner_structure_apurva_wrapper | Wrapper of the Apurva algorithm for aligning pairwise structures |
| CT_Alignment_engine | Base engine for making alignments between structures and sequences. Base engine for making alignments between structures and sequences |
| CIs_lower_name_pair | Predicate for comparing two pairs whatever the order of Alignment_unit_rep in each pair |
| CMatrix_function | Functor for the substitution matrix. Is imposed the following properties: (i) symmetry, (ii) undefined values are 0. Thus, it is just enough to specify non null values on only one triangle of the matrix |
| CT_Alignment_engine_sequences_seqan | Engine for making alignments between sequences using Seqan |
| CT_Alignment_engine_structures | Base engine for making alignments between structures. Base engine for making alignments between structures |
| CT_Alignment_engine_structures_apurva | Base engine for making alignments between structures using Apurva |
| CT_Alignment_engine_structures_identity | Base engine for making alignments between two identical structures (in different conformations) |
| CT_Alignment_engine_structures_iterative_identity | Base engine for making queries in a identity alignment setting for a best local fit |
| CT_Alignment_engine_structures_kpax | Base engine for making alignments between structures using Kpax |
| CT_Alignment_residue | Representation of a residue in the alignement engines Representation of a residue in the alignement engines |
| CT_Alignment_sequence | Representation of a sequence of residues in the alignement engines Representation of a sequence of residues in the alignement engines |
| CT_Alpha_complex_base_3 | Class allowing to have identical template parameters for Alpha_shape and Fixed_alpha_shape classes |
| CT_Alpha_complex_cell_base_3 | Class allowing to have identical template parameters for Alpha_shape and Fixed_alpha_shape classes |
| CT_Alpha_complex_of_molecular_model | Derived class from CGAL alpha-complex for filling it with particles |
| CT_Alpha_complex_of_molecular_model_traits | Class defining all the types related to the |
| CT_Alpha_complex_vertex_base_3 | Class allowing to have identical template parameters for Alpha_shape and Fixed_alpha_shape classes |
| CT_Angular_internal_distance | Model of Distance between angles of two conformations given with their internal coordinates |
| CT_Bicolor_interface_data_structure_base | Container defining what is a bicolor interface between two partners |
| CT_Bicolor_interface_oserialization | Serialization of a bicolor interface |
| CT_Binet_Cauchy_kernel_score | Model of Distances for defining distance between two conformations |
| CT_Bond_angles_visitor | Defines iterator over the bond angles of a covalent structure |
| CT_Bonded_particles_visitor | Defines iterator over the bonds of a covalent structure |
| CT_Buried_surface_area_with_labels | Compute the buried surface area of two given partners |
| CT_Buried_surface_area_without_label | Compute the buried surface area of two given partners |
| CT_Canonize_conformation | Given a structure , a conformation and a C-alpha, translate and rotate the structure so that this C-alpha is at the origin, its neighbor C is on the z-axis (negative), and its neighbor N is on the zx plane (x positive) |
| CT_Chains_residues_contiguous_indexer | Data structure to handle the contiguous indices of residues/un its in a chain even in the presence of missing residues/units |
| CT_Conformation_builder_cartesian_default | Default builder for conformations with cartesian coordinates, |
| CT_Conformation_traits | Traits class to be specialized |
| CT_Conformation_with_covalent_structure | Class enhancing a conformation with a covalent structure e.g. from the package Molecular_covalent_structure |
| CT_Conformation_with_height | Struct SBL::CSB::T_Conformation_with_implicit_height which enhances a conformation with coordinates by adding a height |
| CT_Conformation_with_implicit_height | Provides the struct SBL::CSB::T_Conformation_with_implicit_height which enhances a conformation with coordinates by adding a height and also takes a functor to apply a function to the height |
| CT_Default_amino_acid_seqan_sequence_converter | Default converter that justs returns the input name as the seqan amino acid name, and recirpocally |
| CT_Dihedral_angles_visitor | Defines iterator over the dihedral angles of a covalent structure |
| CT_External_distance | Distance computed from an external executable (sbl-conf-distance.exe) Distance computed from an external executable (sbl-conf-distance.exe) |
| CT_Get_particle_default | Model of Distance for defining distance between two conformations |
| CT_Hierarchical_labels_forest | Provides a forest structure associated to the labels defined in MolecularSystemLabelsTraits |
| CT_Improper_angles_visitor | Defines iterator over the improper angles of a covalent structure |
| CT_Iterative_aligner | |
| CT_Iterative_aligner_identity | |
| CT_Kpax | The generic Kpax algorithm |
| CT_Least_RMSD_cartesian | Model of Distances for defining distance between two conformations |
| CT_Least_RMSD_cartesian_with_chirality | Model of Distances for defining distance between two conformations |
| CT_Mediated_interface_data_structure_base | Container defining what is a mediated interface between two partners and a mediator |
| CT_Mediated_interface_oserialization | Serialization of a mediated interface |
| CT_Minimizer_Ipopt_parameters_without_constraint | Constraints for minimizing without any constraint |
| CT_Minimizer_parameters_without_constraint | Constraints for minimizing without any constraint |
| CT_Molecular_cartesian_coordinates | Computes the cartesian coordinates from the internal coordinates and the covalent structure of a molecular conformation |
| CT_Molecular_covalent_structure | Representation of the covalent structure of a molecular conformation |
| CT_Molecular_covalent_structure_bond_angle_gradient | Defines the gradient associated to the bond angle |
| CT_Molecular_covalent_structure_bond_length_gradient | Defines the gradient associated to the bond length |
| CT_Molecular_covalent_structure_builder_for_protein_martini | Builds a covalent structure from a given model |
| CT_Molecular_covalent_structure_builder_for_proteins | Builds a covalent structure from a given model |
| CT_Molecular_covalent_structure_constraints_for_proteins | Returns true iff the input conformation respects the input constraints |
| CT_Molecular_covalent_structure_optimal | Optimized representation of the covalent structure of a molecular conformation |
| CT_Molecular_covalent_structure_torsion_angle_gradient | Defines the gradient associated to the torsion angle |
| CT_Molecular_geometric_model_classifier_for_alpha_complex | Functor returning true or false if a tupel of particles is represented in the alpha-complex of an input molecular model |
| CT_Molecular_interface_connected_component_data_structure | Container for interfaces edges of the alpha-complex that are connected and share the same interface |
| CHave_labels | Predicate initialized with one or two labels, that checks that a vertex has an ancestor of or equal given label, or an edge has ancestors of or equal given pair of labels |
| CT_Molecular_interface_connected_component_oserialization | Serialization of a connected component of a molecular interface |
| CT_Molecular_interface_data_structure_base | Container for Molecular interface connected components that share the same interface |
| CT_Molecular_interface_oserialization | Serialization of a molecular interface |
| CT_Molecular_interfaces_builder | Construct all the primitive and hierarchical interfaces associated to a molecular model represented by an alpha-complex |
| CT_Molecular_interfaces_traits | Traits class defining the different kind of molecular interfaces |
| CT_Molecular_potential_energy | Potential energy function adding up all the input contributions (C++11 only) |
| CT_Molecular_potential_energy_bond_angle_gradient_harmonic | Defines the standard gradient associated to the bond angle contribution |
| CT_Molecular_potential_energy_bond_angle_gradient_Urey_Bradley | Defines the Urey-Bradley gradient associated to a bond angle |
| CT_Molecular_potential_energy_bond_angle_term_harmonic | Defines the standard term associated to the bond angle contribution |
| CT_Molecular_potential_energy_bond_angle_term_Urey_Bradley | Defines the Urey-Bradley term associated to a bond angle |
| CT_Molecular_potential_energy_bond_length_gradient_harmonic | Defines the standard gradient associated to the bond length contribution |
| CT_Molecular_potential_energy_bond_length_term_harmonic | Defines the standard term associated to the bond length contribution |
| CT_Molecular_potential_energy_bonded_contribution | Contribution of all bonded energy terms to the potential energy function |
| CT_Molecular_potential_energy_cmap_term | Defines the CMap term associated to a pair of proper dihedral angles |
| CT_Molecular_potential_energy_contribution | Contribution of an energy term to the potential energy function |
| CT_Molecular_potential_energy_electrostatic_gradient | Defines a standard gradient associated to the electrostatic contribution |
| CT_Molecular_potential_energy_electrostatic_term | Defines a standard term associated to the electrostatic contribution |
| CT_Molecular_potential_energy_gradient | Sum of the contributions of an energy gradient term to the potential energy gradient function |
| CT_Molecular_potential_energy_gradient_contribution | Contribution of an energy gradient term to the potential energy gradient function |
| CT_Molecular_potential_energy_Lennard_Jones_gradient | Defines the standard gradient associated to the Lennard Jones contribution |
| CT_Molecular_potential_energy_Lennard_Jones_term | Defines the standard term associated to the Lennard Jones contribution |
| CT_Molecular_potential_energy_numerical_gradient | Computes numerically the gradient of a potential energy function |
| CT_Molecular_potential_energy_torsion_angle_gradient_Fourier | Defines the Fourier gradient associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_gradient_harmonic | Defines the harmonic gradient associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_gradient_in_linear_structure | Defines the gradient associated to the torsion angle contribution in a linear structure |
| CT_Molecular_potential_energy_torsion_angle_gradient_periodic | Defines the periodic gradient associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_gradient_Ryckaert_Bellemans | Defines the Ryckaert_Bellemans gradient associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_in_linear_structure_term | Defines the term associated to the torsion angle contribution in a linear structure |
| CT_Molecular_potential_energy_torsion_angle_term_Fourier | Defines the Fourier term associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_term_harmonic | Defines the harmonic term associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_term_periodic | Defines the periodic term associated to the proper dihedral angle contribution |
| CT_Molecular_potential_energy_torsion_angle_term_Ryckaert_Bellemans | Defines the Ryckaert_Bellemans term associated to the proper dihedral angle contribution |
| CT_Molecular_primitive_internal_coordinates | Computes the internal coordinates from the covalent structure of a molecular conformation |
| CT_Molecular_structure_classifier | Classify the particles of molecular systems that are at a given interface |
| CT_Molecular_structure_traits | Traits clas defining types used for the Molecular Structure Classifier |
| CT_Multiple_sequence_alignment_DS | |
| CT_Multiple_sequence_alignment_DS_filtered | |
| CT_Nucleic_acid_representation | |
| CT_Particle_info_biomolecules | Information on the particle to attach to the vertices of the covalent structure when using it with force fields |
| CT_Particle_info_for_proteins | Information on the particle to attach to the vertices of the covalent structure when using it with force fields |
| CT_Particle_info_traits | Concept for manipulating particle info attached to a covalent structure |
| CT_Particle_vertex_base | Specialized vertex of a 3D triangulation with an attached particle |
| CRebind_TDS | Rebind data structure for inheriting from a vertex data structure as specified in the CGAL library |
| CT_Phi_psi_dihedral_angles_visitor | Defines iterator over all successive pairs of dihedrals |
| CT_Polynucleotide_chain_representation | Representation of a single polynucleotide chain within a Nucleic Acid representation |
| CT_Polypeptide_chain_contacts_finder | Class to find pairwise atomic contacts withing a polypeptide chain |
| CT_Polypeptide_chain_representation | Representation of a single polypeptide chain within a Nucleic Acid representation |
| CT_Protein_representation | Representation of a protein with its polypeptide chains |
| CT_Real_value_function_minimizer | Minimizer of a real valued function |
| CT_Real_value_function_minimizer_Ipopt | Minimizer of a real valued function |
| CT_Real_value_function_minimizer_LBFGS | Minimizer of a real valued function using the header-only library LBFGS++ |
| CT_RMSD_comb_edge_weighted | Given a set of motifs instantiates the motif graph and computes the associated combined RMSD |
| CVertex_property | Vertex property for the motif graph |
| CT_Score_computer_K | |
| CT_Seeder_basic | Given two structures, align them using Kpax_seeder |
| CT_Seeder_DP_score | Given two structures, align them using Seeder_DP_score |
| CT_Squared_angular_internal_distance | Model of distance between angles of two conformations given with their internal coordinates |
| CT_Squared_RMSD_internal_distance | Model of Distance for defining distance between two conformations |
| CT_Tertiary_quaternary_structure_annotator | Builds a graph representing the biochemical interactions between units of a protein |
| CEdge_label_writer | Functor allowing to write two properties associated to a vertex or an edge into a dot file representing a graph |
| CVertex_label_writer | Functor allowing to write two properties associated to a vertex into a dot file representing a graph |
| CT_TLC_polynomial | Converts the Tripeptide contraints given to a 16th degree polynomial |
| CT_TLC_polynomial_roots_to_embedings | Converts polynomial roots to embeddings using values defined in T_TLC_polynomial |
| CT_TLC_polynomial_solver_interface | Interface to the CGAL polynomial solver using Algebraic Number types |
| CT_TLC_solver | Computes the backbone coordinates of solutions to the Tripeptide loop closure with only phi and psi bond angles changing in internal coordinates |
| CT_Transition_graph_traits_compressed | Note that all methods are static – no member data |
| CT_Transition_graph_traits_standard | TG representation with explicit storage of the saddles as vertices of the TG |
| CT_Triangulation_of_molecular_model | Derived class from CGAL Regular triangulation for filling it with particles |
| CT_Tricolor_interface_data_structure_base | Container defining what is a tricolor interface between two partners |
| CT_Tricolor_interface_oserialization | Serialization of a tricolor interface |
| CT_Tripeptide_anchors | Anchor atoms around the moving atoms for the tripeptide loop closure |
| CT_Tripeptide_constraints | Constraints used to solve the tripeptide loop closure |
| CT_Unbonded_particles_visitor | Defines iterator over all distinct pairs of particles |
| CT_Unbonded_particles_with_threshold_visitor | Defines iterator over all distinct pairs of particles |
| NDB_hit_manager | |
| CHit_info | |
| CHits_manager | |
| CHits_manager_no_annotations | |
| NDB_manipulators | |
| CNCBI_wrapper | |
| CUniprot_wrapper | |
| NGT | |
| CBin_properties_Internal | The Bin_properties struct defines which properties are stored per bin. by default, the density and the histogram, plus some custom user-defined stats |
| CCombined_WL_Move_Set_Data_Interface | Class for the i-th move set to access its data stored in the WL DS To see how it works: index i: generates a new interface for a MS: in each bin: data for each MS for a combined MS: in each bin: tuple for all MS class on top on the interface, to access the data of the i-th MS |
| CDarting_Move_Params | Darting Move set Params |
| CDarting_Move_Set_Traits | Darting Move set traits (see paper for details of internal working) |
| CDarting_Move_Stats | Darting Move set Stats |
| CGaussian_Move_Params | Gaussian Move params |
| CGaussian_Move_Set_Traits | Gaussian Move Set, simplest move set provided. Propose a move sampled from a normal distribution centered on the starting point |
| CGaussian_Move_Stats | Gaussian Move Set stats |
| CK_means_scores | Various scores for K_means |
| CNearest_neighbors_graph_builder | Builder for nearest neighbors graphs |
| CNearest_neighbors_graph_builder_with_edge_weight | Builder for nearest neighbors graphs |
| CNo_Overstep_Cone_Move_Params | No overstep cone move set params |
| CNo_Overstep_Cone_Move_Set_Traits | No overstep cone move set traits: a move set that aims to sample neighbourings energy strata, and uses the cone strategy for better mixing. See paper for details |
| CNo_Overstep_Cone_Move_Stats | No overstep cone move set stats |
| CNo_Overstep_Move_Params | No overstep move set params |
| CNo_Overstep_Move_Set_Traits | No overstep move set traits: a move set that aims to sample neighbourings energy strata. See paper for details |
| CNo_Overstep_Move_Stats | No overstep move set stats |
| CT_ANN_FLANN_wrapper | Nearest neighbor engine from FLANN library |
| CT_ANN_meta | Nearest neighbor engine designed for metric spaces |
| CT_ANN_metric_space_LAESA | Nearest neighbor engine designed for metric spaces |
| CT_ANN_metric_space_proximity_tree | Nearest neighbor engine designed for metric spaces |
| CT_Betti_numbers_1 | Compute the Betti numbers of a Graph |
| CT_Betti_numbers_2 | Compute the Betti numbers of a 3D Cell Complex from its alpha-complex |
| CT_Bin_properties | This class extends Bin_properties to record info from the move sets |
| CT_Cluster_engine_k_means | |
| CT_Cluster_engine_k_means_com_euclidean | Representation of a center of mass for k-means in Euclidean spaces |
| CT_Cluster_engine_k_means_com_Sd | Representation of a center of mass in k-means algorithm |
| CT_Cluster_engine_Morse_theory_based | Morse theory based clustering algorithm |
| CT_com_inertia_calculator | |
| CT_Combined_Move_Params | Collect into a tuple the params of all move sets |
| CT_Combined_Move_Set | As above, but for move sets rather than controllers |
| CT_Combined_Move_Set_Controller | Contoler : controls the MS WL calls the controller of the combined MS, which (recursively, thanks to templates) calls the defered controllers |
| CT_Combined_Move_Stats | Collect into a tuple the stats of all move sets |
| CT_Darting_Move_Set | Darting Move set. Physical conformation needs a function get_grad, compute_energy and get_energy and a member data |
| CT_Darting_Move_Set_Controller | Darting Move set Controller |
| CT_Delaunay_triangulation_extension_3 | Defines simple predicates and constructions structure over a triangulation |
| CGet_area_of_dual_of_edge | Given the dual of an edge, compute its area |
| CGet_dual_of_edge | Given an edge, return its dual as a container of points |
| CGet_dual_of_facet | Given a facet, return its dual as a segment |
| CGet_squared_length_of_dual_of_facet | Given a facet, return the squared length of its dual segment |
| CT_Delaunay_triangulation_spherical_traits_3 | Kernel used for computations involving exact number types for coordinates of boundary points |
| CT_Delaunay_triangulation_spherical_traits_3_base | Model for the base of a geometric kernel for T_Delaunay_triangulation_spherical_traits_3 |
| CBase | Base for the kernel |
| CT_Distance_default_for_graph | Base distance over vertices of a graph |
| CT_DS_conformation | This class contains a conformation from the physical system, to which we append information on the energy and the bin index |
| CT_DS_snapshot_default | A class storing the main pieces of information, at a given time stamp in the course of the algorithm |
| CT_Frechet_mean_S1 | This class computes local and global minimums of the sum of p exponent distance function |
| CT_Gaussian_Move_Set | Gaussian Move Set |
| CT_Gaussian_Move_Set_Controller | Gaussian Move Set controller |
| CT_Least_RMSD_cartesian_3 | Perform a 3D rigid registration between two 3D point clouds, then computes the RMSD distance between the two aligned clouds |
| CT_Morse_Smale_Witten_chain_complex | Representation of the complex of the same name |
| CT_Morse_Smale_Witten_chain_complex_from_NNG_builder | Builds the Morse Smale Witten chain complex from a NNG |
| CT_Morse_Smale_Witten_chain_complex_from_vertex_weighted_graph_builder | Builds the Morse Smale Witten chain complex from a vertex weighted graph |
| CT_Morse_Smale_Witten_chain_complex_from_weighted_graph_builder | Builds the Morse Smale Witten chain complex from a weighted graph |
| CT_Morse_theory_based_analyzer | Analysis of a Morse Smale Witten chain complex |
| CT_NN_linear_scan | Naive algorithm looking for the nearest neighbors of a point in a database w.r.t a metric space Naive algorithm looking for the nearest neighbors of a point in a database w.r.t a metric space |
| CT_NN_metric_tree | Nearest neighbor engine designed for metric spaces |
| CT_No_Overstep_Cone_Move_Set | No overstep cone move set |
| CT_No_Overstep_Cone_Move_Set_Controller | No overstep cone move set controller |
| CT_No_Overstep_Move_Set | No overstep move set |
| CT_No_Overstep_Move_Set_Controller | No overstep move set controller |
| CT_Point_cloud_rigid_registration_3 | Model of Distances for defining distance between two point clouds |
| CT_RMSD_cartesian_3 | RMSD distance between two 3D point clouds |
| CT_Rotation_3 | Static 3d rotation methods |
| CT_SE3_motion | Rigid motion in 3D |
| CT_SE3_representation | SE3 |
| CT_seed_inertia_calculator | |
| CT_Seed_reselector | |
| CT_Seed_selector_k_means_plus_plus | Select seeds with D2 weighting |
| CT_Seed_selector_minimax | Select seeds by maximizing the min cost for seeds at each selection step |
| CT_Seed_selector_random | |
| CT_SO3_representation | SE3 |
| CT_Spectral_clustering | Spectral clustering algorithm from Ng et al at NeurIPS 2001 |
| CT_Spherical_kernel_extension_3 | Extension completing the 3D Spherical kernel of CGAL |
| CIs_counter_clockwise_oriented | Check that an oriented edge and a point on the circular arc represented by this edge defines a counter clockwise orientation |
| CIs_largest_circular_arc_3 | Returns a sign that is negative if the input circular arc is the largest one, positive if its opposite, and 0 if its angle is PI |
| COrientation_with_roots_3 | Orientation predicate allowing input numbers as Root_of_2 |
| CT_Splitter_default | Nearest neighbor engine designed for metric spaces |
| CT_Squared_Least_RMSD_cartesian_3 | Perform a 3D rigid registration between two 3D point clouds, then computes the squared RMSD distance between the two aligned clouds |
| CT_Squared_RMSD_cartesian_3 | Squared RMSD distance between two 3D point clouds |
| CT_Stable_manifold_as_list_traits | Simple representation of a stable manifold as a list of points |
| CT_Trajectory | Trajectory of a point undergoing a motion in 3D |
| CT_Triangulation_extension_3 | Defines simple predicates and constructions structure over a triangulation |
| CT_Triangulation_extension_3_base | Defines simple predicates and constructions structure over a triangulation |
| CCanonical_edge | Canonical representation of an edge in the 3D Triangulation |
| CCanonical_facet | Canonical representation of a facet in the 3D Triangulation |
| CGet_common_facet | Given two cells, return the common facet of the two cells |
| CGet_other_two_edges | Given an edge and a facet bounding it, return the two other edges of the facet |
| CIs_coface | Check that a simplex is the coface of a second simplex |
| CIs_counter_clockwise_oriented | Predicate checking that a facet of the 3D triangulation is counter-clockwise oriented |
| CT_Vertex_handle_with_order | Check that a simplex is the coface of a second simplex |
| CT_Union_of_balls_boundary_3_builder | Functor filling a HDS of the Boundary of an union of balls |
| CT_Union_of_balls_boundary_3_data_structure | Representation of the boundary of the union of balls |
| CT_Union_of_balls_boundary_3_face | Representation of a face in the half-edge data structure |
| CT_Union_of_balls_boundary_3_half_edge | Representation of a half-edge in the half-edge data structure |
| CT_Union_of_balls_boundary_3_item_info | Attached a simplex of the |
| CT_Union_of_balls_boundary_3_items | Instantiation of face, half-edge and vertex tpes of the half-edge data structure |
| CT_Union_of_balls_boundary_3_side | Construction of the mesh of the union of 3D balls such that any point at the surface of the union of balls has a point of the mesh in its epsilon-neighborhood |
| CT_Union_of_balls_boundary_3_vertex | Representation of a vertex in the half-edge data structure |
| CT_Union_of_balls_boundary_patch_shelling_3 | Shelling diagram of a patch on the boundary of the union of 3D balls |
| CT_Union_of_balls_epsilon_mesh_3 | Construction of the mesh of the union of 3D balls such that any point at the surface of the union of balls has a point of the mesh in its epsilon-neighborhood |
| CT_Union_of_balls_medial_axis_3_builder | Algorithm constructing the medial axis of an union of balls |
| CT_Union_of_balls_medial_axis_3_data_structure | Representation of the medial-axis of the union of balls |
| CT_Union_of_balls_medial_axis_3_face | Representation of a face in the half-edge data structure |
| CT_Union_of_balls_medial_axis_3_halfedge | Representation of a half-edge in the half-edge data structure |
| CT_Union_of_balls_medial_axis_3_items | Instantiation of face, half-edge and vertex tpes of the half-edge data structure |
| CT_Union_of_balls_medial_axis_3_vertex | Representation of a vertex in the half-edge data structure |
| CT_Union_of_balls_surface_volume_3 | Algorithm computing the surface area and the volume of the union of 3D balls |
| CT_Wang_Landau | This is the main class that runs a Wang-Landau simulation |
| CRoll_Back_Restoration_Point | Informotion used to roll back, including the states for random number generators |
| CWL_DS_Interface | Class used by the move set controllers (one for each move set), to access information stored in the DS Nb: for WL, there is a single move set, the combined one |
| CT_WL_Data_Structure_Internal | Bin management: main data structure used by Wang_landau algorithm |
| CT_WL_Data_Structure_MS | This class specializes its internal counterpart to record additional info used by move sets |
| CT_WL_Simulation | |
| CT_WL_Simulation_Gaussian | Specialisation of T_WL_Simulation for Gaussian move set |
| CT_WL_Simulation_No_Overstep | Specialisation of T_WL_Simulation for No overstep move set |
| CWL_histo_change_measure | Change from measure pi to measure mu, see paper |
| CWL_stats_serializer | Helper class which stores into files: |
| Ngui_codegen | |
| CCodeGenerator | |
| Ngui_codegen_panel | |
| CGeneratorPanel | |
| Ngui_codegen_PyQt6 | |
| CGeneratorPyQt6 | |
| Ngui_codegen_Tkinter | |
| CGeneratorTkinter | |
| Ngui_generator_manager | |
| CGUIGeneratorManager | |
| Ngui_json_schema | |
| CGUI | |
| CMetadata | |
| CParseGUI | |
| CWidget | |
| CWindow | |
| Ngui_ui2json | |
| CUiToJsonConverter | |
| Ngui_ui2json_input_panel | |
| CGUIInputPanelJsonGenerator | |
| Ngui_ui2json_update_panel | |
| CGUIUpdatePanelJsonGenerator | |
| NHMMER_Wrapper | |
| CHMM | |
| NIO | |
| CChain_selection | Selection object representing a chain selection for molecular viewers |
| CLoader_base | Base loader from which any loader should inherit |
| CMolecular_view | Base class for viewing an object in one of the available format (VMD, PyMOL) |
| CMolecular_view< T_PyMOL_viewer< Dummy >, CGAL::Point_3< K > > | Views a 3D point in PyMOL format |
| CMolecular_view< T_PyMOL_viewer< Dummy >, CGAL::Sphere_3< K > > | Views in PyMOL format a 3D sphere. |
| CMolecular_view< T_PyMOL_viewer< Dummy >, CGAL::Triple< CGAL::Point_3< K >, CGAL::Point_3< K >, CGAL::Point_3< K > > > | Views a 3D triangle in PyMOL format |
| CMolecular_view< T_PyMOL_viewer< Dummy >, CGAL::Triple< CGAL::Weighted_point< Point, Weight >, CGAL::Weighted_point< Point, Weight >, CGAL::Weighted_point< Point, Weight > > > | Views in PyMOL format a 3D triangle represented by the three input 3D weighted points |
| CMolecular_view< T_PyMOL_viewer< Dummy >, CGAL::Weighted_point< Point, Weight > > | Views in PyMOL format a 3D sphere represented by the input 3D weighted point |
| CMolecular_view< T_PyMOL_viewer< Dummy >, Chain_selection > | PyMOL specialization for Chain_selection |
| CMolecular_view< T_PyMOL_viewer< Dummy >, std::pair< CGAL::Point_3< K >, CGAL::Point_3< K > > > | Views a 3D segment in PyMOL format |
| CMolecular_view< T_PyMOL_viewer< Dummy >, std::pair< CGAL::Weighted_point< Point, Weight >, CGAL::Weighted_point< Point, Weight > > > | Views in PyMOL format a 3D segment represented by the two input 3D weighted points |
| CMolecular_view< T_VMD_viewer< Dummy >, CGAL::Point_3< K > > | Views a 3D point in VMD format |
| CMolecular_view< T_VMD_viewer< Dummy >, CGAL::Sphere_3< K > > | Views in VMD format a 3D sphere. |
| CMolecular_view< T_VMD_viewer< Dummy >, CGAL::Triple< CGAL::Point_3< K >, CGAL::Point_3< K >, CGAL::Point_3< K > > > | Views a 3D triangle in VMD format |
| CMolecular_view< T_VMD_viewer< Dummy >, CGAL::Triple< CGAL::Weighted_point< Point, Weight >, CGAL::Weighted_point< Point, Weight >, CGAL::Weighted_point< Point, Weight > > > | Views in VMD format a 3D triangle represented by the three input 3D weighted points |
| CMolecular_view< T_VMD_viewer< Dummy >, CGAL::Weighted_point< Point, Weight > > | Views in VMD format a 3D sphere represented by the input 3D weighted point |
| CMolecular_view< T_VMD_viewer< Dummy >, Chain_selection > | VMD specialization for Chain_selection |
| CMolecular_view< T_VMD_viewer< Dummy >, std::pair< CGAL::Point_3< K >, CGAL::Point_3< K > > > | Views a 3D segment in VMD format |
| CMolecular_view< T_VMD_viewer< Dummy >, std::pair< CGAL::Weighted_point< Point, Weight >, CGAL::Weighted_point< Point, Weight > > > | Views in VMD format a 3D segment represented by the two input 3D weighted points |
| CMolecular_view< Viewer, CGAL::Alpha_shape_3< Dt, ExactAlphaComparisonTag > * > | Views in Molecular format the edges and facets of the input 3D |
| CMolecular_view< Viewer, CGAL::Alpha_shape_vertex_base_3< Gt, Vb, ExactAlphaComparisonTag, Weight_tag > > | Uses the Molecular viewer of the base vertex of the 3D |
| CMolecular_view< Viewer, CGAL::Fixed_alpha_shape_3< Dt > * > | Views in Molecular format the edges and facets of the input fixed 3D |
| CMolecular_view< Viewer, CGAL::Fixed_alpha_shape_vertex_base_3< Gt, Vb > > | Uses the Molecular viewer of the base vertex of the fixed 3D |
| CMolecular_view< Viewer, CGAL::Regular_triangulation_3< Gt, Tds > * > | Views in Molecular format the edges and facets of the input 3D regular triangulation |
| CMolecular_view< Viewer, CGAL::Regular_triangulation_vertex_base_3< Gt, Vb > > | Views in Molecular format the point represented by the input vertex of a 3D triangulation |
| CMolecular_view< Viewer, CGAL::Triangulation_3< Gt, Tds > * > | Views in Molecular format the edges and facets of the input 3D triangulation |
| CMolecular_view< Viewer, CGAL::Triangulation_vertex_base_3< Gt, Vb > > | Views in Molecular format the point represented by the input vertex of a 3D triangulation |
| CMolecular_view< Viewer, CGAL::Triangulation_vertex_base_with_info_3< Info, Gt, Vb > > | Views in Molecular format the point represented by the input vertex of a 3D triangulation (when info is attached) |
| CMolecular_view< Viewer, CGAL::Triple< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Alpha_shape_cell_base_3< Gt, Cb, ExactAlphaComparisonTag, Weight_tag >, Allocator >, Const >, int, int > > | Views in Molecular format the segment represented by the input edge of a 3D |
| CMolecular_view< Viewer, CGAL::Triple< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Fixed_alpha_shape_cell_base_3< Gt, Cb >, Allocator >, Const >, int, int > > | Views in Molecular format the segment represented by the input edge of a fixed 3D |
| CMolecular_view< Viewer, CGAL::Triple< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Regular_triangulation_cell_base_3< Gt, Cb >, Allocator >, Const >, int, int > > | Views in molecular format the segment represented by the input edge of a 3D regular triangulation |
| CMolecular_view< Viewer, CGAL::Triple< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Triangulation_cell_base_3< Gt, Cb >, Allocator >, Const >, int, int > > | Views in Molecular format the segment represented by the input edge of a 3D triangulation |
| CMolecular_view< Viewer, std::pair< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Alpha_shape_cell_base_3< Gt, Cb, ExactAlphaComparisonTag, Weight_tag >, Allocator >, Const >, int > > | Views in Molecular format the triangle represented by the input facet of a 3D |
| CMolecular_view< Viewer, std::pair< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Fixed_alpha_shape_cell_base_3< Gt, Cb >, Allocator >, Const >, int > > | Views in Molecular format the triangle represented by the input facet of a fixed 3D |
| CMolecular_view< Viewer, std::pair< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Regular_triangulation_cell_base_3< Gt, Cb >, Allocator >, Const >, int > > | Views in Molecular format the triangle represented by the input facet of a 3D triangulation |
| CMolecular_view< Viewer, std::pair< CGAL::internal::CC_iterator< CGAL::Compact_container< CGAL::Triangulation_cell_base_3< Gt, Cb >, Allocator >, Const >, int > > | Views in Molecular format the triangle represented by the input facet of a 3D triangulation |
| CMolecular_view< Viewer, std::pair< const CGAL::Alpha_shape_3< Dt, ExactAlphaComparisonTag > *, typename CGAL::Alpha_shape_3< Dt, ExactAlphaComparisonTag >::Edge > > | Views in Molecular format the facet dual of the input edge of a 3D |
| CMolecular_view< Viewer, std::pair< const CGAL::Alpha_shape_3< Dt, ExactAlphaComparisonTag > *, typename CGAL::Alpha_shape_3< Dt, ExactAlphaComparisonTag >::Facet > > | Views in Molecular format the edge dual of the input facet of a 3D |
| CMolecular_view< Viewer, std::pair< const CGAL::Fixed_alpha_shape_3< Dt > *, typename CGAL::Fixed_alpha_shape_3< Dt >::Edge > > | Views in Molecular format the facet dual of the input edge of a fixed 3D |
| CMolecular_view< Viewer, std::pair< const CGAL::Fixed_alpha_shape_3< Dt > *, typename CGAL::Fixed_alpha_shape_3< Dt >::Facet > > | Views in Molecular format the edge dual of the input facet of a fixed 3D |
| CMolecular_view< Viewer, std::pair< const CGAL::Regular_triangulation_3< Gt, Tds > *, typename CGAL::Regular_triangulation_3< Gt, Tds >::Edge > > | Views in Molecular format the facet dual of the input edge of the input 3D regular triangulation |
| CMolecular_view< Viewer, std::pair< const CGAL::Regular_triangulation_3< Gt, Tds > *, typename CGAL::Regular_triangulation_3< Gt, Tds >::Facet > > | Views in Molecular format the edge dual of the input facet of the input 3D regular triangulation |
| CPyMOL_viewer | Viewer writing in PyMOL file format |
| CT_Archive_file_loader | Loader for one or more boost archive files |
| CT_Biomolecule_representation_loader | Loader for proteins from PDB and mmCIF files using SBL |
| CT_Conformation_loader | Class for loading conformations from a list of PDB / cif files, or from a plain txt file listing the conformations as Point_d. Class for loading conformations from a list of PDB / cif files, or from a plain txt file listing the conformations as Point_d |
| CT_Index_wrapper | Wrapper for indices where the IO dumping may be different from the index itself |
| CT_Molecular_covalent_structure_loader | Loader for covalent structures from PDB / mmCIF files |
| CT_Molecular_covalent_structure_loader_from_MOL | Loader for covalent structures from MOL files |
| CT_Molecular_system_loader | Class for loading molecular systems |
| CT_Multiple_archives_serialization_xml_iarchive | XML input archive coupling the data from a secondary archive to the main xml archive |
| CT_Multiple_archives_serialization_xml_oarchive | XML output archive decoupling the data to put in the archive and data to possibly put in a secondary file |
| CT_Multiple_archives_xml_archive_file_loader | Loader for one or more multiple archives xml archive files |
| CT_Nucleic_acid_representation_loader | Loader for nucleic_acids from PDB and mmCIF files using SBL |
| CT_Numbers_file_loader | Loader for files listing numbers |
| CT_Primitive_labels_loader | Loader for systems' labels specification. Loader for systems' labels specification |
| CT_Protein_representation_loader | Loader for proteins from PDB and mmCIF files using SBL |
| CT_PyMOL_viewer | Viewer writing in PyMOL file format |
| CT_Transition_graph_loader | Loader for one or more boost archive files |
| CVMD_viewer | Viewer writing in VMD file format |
| NKpax_alignment_graph | |
| CKpaxAlignmentGraph | |
| Nkpax_post_analysis_services | |
| CKpaxPostAnalyzer | |
| Nmcibootstrap_iterative | |
| CMCI_bootstrap | |
| NModels | |
| CAB_label_traits | Traits class defining partners' labels for binary molecular complexes A and B. Traits class defining partners' labels for binary molecular complexes A and B |
| CChain_label_traits | Model of MolecularSystemLabelTraits for chains |
| CDefault_radii_for_particles_with_annotated_name | Default radii for atoms and pseudo-atoms as residues |
| CDomain_label_traits | Model of MolecularSystemLabelTraits for molecular complexes defined in a file |
| CExtra_label_traits | Traits class defining one extra's label. Traits class defining one extra's label |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| CGet_annotator_option_display_name_default | Returns a string that is the default display name of options for generic annotators |
| CGet_annotator_option_help_default | Returns a string that is the default option help for generic annotators |
| CGet_annotator_option_name_default | Returns a string that is the default option name for generic annotators |
| CIG_label_traits | Traits class defining hierarchical partners' labels for immunoglobulin (IG). Traits class defining hierarchical partners' labels for immunoglobulin (IG) |
| CIGAg_label_traits | Traits class defining hierarchical partners' labels for immunoglobulin (IG) with an antigen (Ag). Traits class defining hierarchical partners' labels for immunoglobulin (IG) with an antigen (Ag) |
| CMake_no_annotation_key | Returns false, whatever is the entry |
| CName_annotator_for_atoms_setter_default | Default annotated name setter, using the method set_annotated_name of the input particle |
| CName_annotator_for_pseudo_atoms_setter_default | Default annotated name setter, using the method set_annotated_name of the input particle |
| CNo_label_traits | Traits class defining no system's label. Traits class defining no system's label |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| CNo_particle_annotator | Annotator that does not do anything |
| COne_label_traits | Traits class defining one partner's label. Traits class defining one partner's label |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| CRadius_annotator_for_particles_with_annotated_name_setter_default | Default radius setter, using the method set_radius of the input particle |
| CSet_dynamic_annotation_default | Default data structure adding a dynamic annotation to a particle |
| CT_Atom_with_flat_info | Wrapper representing the atom |
| CT_Atom_with_flat_info_and_annotations_traits | Defines a generic serializable atom with annotations (default is name, radius and optional annotations) |
| CGet_geometric_representation | Functor returning a weighted point representing the atom |
| CT_Atom_with_flat_info_traits | Traits class defining atoms traits (biophysical and geometric properties). Traits class defining atoms traits (biophysical and geometric properties) |
| CAtom_with_flat_infos_builder | Builder for containers of Particle_type |
| CGet_geometric_representation | Functor returning a weighted point representing the atom |
| CT_Atom_with_hierarchical_info_and_annotations_traits | Traits class defining atoms traits with annotations (at least name and radius). Traits class defining atoms traits with annotations (at least name and radius) |
| CGet_geometric_representation | Functor returning a weighted point representing the atom |
| CT_Atom_with_hierarchical_info_traits | Traits class defining atoms traits (biophysical and geometric properties). Traits class defining atoms traits (biophysical and geometric properties) |
| CGet_geometric_representation | Functor returning a weighted point representing the atom |
| CT_Chain_label_traits | Model of MolecularSystemLabelTraits for chains |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| CT_Conformation_builder_cartesian_default | Default builder for conformations with cartesian coordinates |
| CT_Domain_annotator_for_particles | Model of ParticleAnnotator for attributing a domain to atoms. Model of ParticleAnnotator for attributing a domain to atoms |
| CT_Domain_label_traits | Model of MolecularSystemLabelTraits for molecular complexes defined in a file. |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| CT_Dynamic_annotator_for_atoms | Model of ParticleAnnotator for attributing any annotation to a particle dynamically |
| CT_Annotations_with_dynamic | Default class for representing dynamic annotations (it refines a base class of annotations) |
| CT_Annotations_with_dynamic< void, DynamicAnnotation > | Default class for representing dynamic annotations (it is a base class of annotations) |
| CT_Dynamic_annotator_for_residues | Model of ParticleAnnotator for attributing any annotation to a particle dynamically |
| CT_Generic_annotator | Model of ParticleAnnotator for attributing any annotation to a particle |
| CT_Generic_annotator_without_file | Model of ParticleAnnotator for attributing any annotation to a particle without loading a file |
| CT_Geometric_particle_traits | Particle represented by a simple geometric object (a 3D point, a 3D sphere or a 3D weighted point) |
| CGet_geometric_representation | Functor returning a weighted point representing the atom |
| CT_Graph_loader | Loader for one or more txt files listing weights |
| CT_IG_label_traits | [definition] |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| CT_Moveset_atomic | Moveset from each particle of a conformation |
| CT_Moveset_global | Moveset of the conformation as a whole |
| CT_Moveset_interpolation | Moveset of the conformation by interpolation between two conformations |
| CT_Name_and_radius_annotations | Base annotations for a default atom (name and radius) |
| CT_Name_annotator_for_atoms | Model of ParticleAnnotator for attributing a name to an atom |
| CT_Name_annotator_for_pseudo_atoms | Model of ParticleAnnotator for attributing a name to a pseudo-atom |
| CT_Particle_annotator_collector | Collector for models of ParticleAnnotator |
| CT_Particle_with_annotations | Traits class defining particles traits with annotations |
| CT_Particle_with_annotations_traits | Traits class defining patricles traits with annotations |
| CT_Particle_with_system_label | Model of Particle with a system's label |
| CSystem_label | Representation of a system's label, that can be either a partner, a mediator or an extra label |
| CT_Particle_with_system_label_traits | Model of ParticleTraits for defining particles with a system's label |
| CT_Points_d_file_loader | Loader for one or more txt files listing dD points Loader for one or more txt files listing dD points |
| CT_Points_d_file_loader_generic | Loader for one or more txt files listing dD points Loader for one or more txt files listing dD points |
| CT_Pseudo_atom_per_residue_spec_with_flat_info | Wrapper representing the coarse atom |
| CT_Pseudo_atom_per_residue_spec_with_flat_info_and_annotations_traits | Traits class defining pseudo-atoms traits (biophysical and geometric properties). Traits class defining pseudo-atoms traits (biophysical and geometric properties) |
| CGet_geometric_representation | Functor returning a weighted point representing the coarse atom |
| CT_Pseudo_atom_per_residue_spec_with_flat_info_traits | Traits class defining pseudo-atoms traits (biophysical and geometric properties). Traits class defining pseudo-atoms traits (biophysical and geometric properties) |
| CGet_geometric_representation | Functor returning a weighted point representing the atom |
| CT_Radius_annotator_for_particles_with_annotated_name | Model of ParticleAnnotator for attributing a radius to an atom |
| CT_Spheres_3_file_loader | Loader for one or more txt files listing 3D spheres |
| CT_Unit_system_traits_AKMA | Traits class defining the types used in the AKMA unit system Traits class defining the types used in the AKMA unit system |
| CT_Unit_system_traits_for_potential_energy | Traits class defining the types used in an input system with eneriched types used in potential energy calculations Traits class defining the types used in an input system with eneriched types used in potential energy calculations |
| CT_Unit_system_traits_none_AKMA | Traits class defining dimensionless types for AKMA Traits class defining dimensionless types for AKMA |
| CT_Unit_system_traits_none_MD | Traits class defining dimensionless types for MD Traits class defining dimensionless types for MD |
| CT_XTC_file_loader | Application allowing to load conformations from a list of PDB files using ESBTL, or from a plain txt file listing the conformations as Point_d |
| CWater_label_traits | Traits class defining mediators' labels for water. Traits class defining mediators' labels for water |
| CPrimitive_label_classifier | Functor returning a pair classifying a particle |
| NModules | |
| CModule_base | Base module from which any module should inherit |
| CModule_based_workflow | Representaiont of the workflow of an application enriched with default options |
| CT_Alignment_sequences_module | Module which computes a pairwise alignment of two sequences Module which computes a pairwise alignment of two sequences |
| CT_Alignment_structures_module | Module which computes a pairwise alignment of two structures Module which computes a pairwise alignment of two structures |
| CT_Alpha_complex_of_molecular_model_module | Module building the alpha-complex of an input set of particles. Module building the alpha-complex of an input set of particles |
| CT_Bicolor_interface_oserialization | Serialization of a bicolor interface |
| CT_Buried_surface_area_with_labels_module | Module building the buried surface areas from the alpha-complex of a molecular model. Module building the buried surface areas from the alpha-complex of a molecular model |
| CT_Buried_surface_area_without_label_module | Module building the buried surface area of a partner from the alpha-complex of a molecular model. Module building the buried surface area of a partner from the alpha-complex of a molecular model |
| CT_Cluster_engine_module | Module which computes clusters from a cloud of points Module which computes clusters from a cloud of points |
| CT_Earth_mover_distance_module | Application's module instantiating the eartyh mover distance algorithm |
| CT_Mediated_interface_oserialization | Serialization of a mediated interface |
| CT_Module_based_workflow | Internal base for the workflow |
| CEdge_property_label_writer | Writer of properties of an edge of the graph in .dot format |
| CGraph_property_label_writer | Writer of properties of the graph in .dot format |
| CVertex_property_label_writer | Writer of properties of a vertex of the graph in .dot format |
| CT_Module_condition | Condition module for selecting one of two possible outflows |
| CT_Module_conjunction | Conjunction module linking two input modules or loaders with an and operator |
| CT_Module_option_description | Base module from which any module should inherit |
| CT_Molecular_interfaces_module | Module building the bicolor, mediated and tricolor interfaces of a molecular structure. Module building the bicolor, mediated and tricolor interfaces of a molecular structure |
| CT_Molecular_interfaces_module_statistics | Application's module_statistics for building the alpha-complex of a molecular model. |
| CT_Molecular_structure_classifier_module | Module classifying the particles of a molecular structure following their system's labels. Module classifying the particles of a molecular structure following their system's labels |
| CT_Morse_theory_based_analyzer_for_NNG_module | Generic manager for reading arguments of the program and run the calculations |
| CT_Morse_theory_based_analyzer_for_vertex_weighted_graph_module | Generic manager for reading arguments of the program and run the calculations |
| CT_Morse_theory_based_analyzer_for_weighted_graph_module | Generic manager for reading arguments of the program and run the calculations |
| CT_Morse_theory_based_analyzer_module | Generic manager for reading arguments of the program and run the calculations |
| CT_Nearest_neighbors_graph_builder_module | Generic manager for reading arguments of the program and run the calculations |
| CT_RMSD_comb_edge_weighted_module | Undefined. Undefined |
| CT_Spatial_search_module | Module building a data base for spatial-search from an input set of points. Module building a data base for spatial-search from an input set of points |
| CT_Tertiary_quaternary_structure_annotator_module | Module building the Biochemical Interfaces Graph of a molecular structure |
| CT_Tricolor_interface_oserialization | Serialization of a tricolor interface |
| CT_Union_of_balls_boundary_3_module | Module building the boundary of the union of input 3D balls. Module building the boundary of the union of input 3D balls |
| CT_Union_of_balls_boundary_patch_shelling_3_module | Module computing the shelling order forests of particles in a binding patch. Module computing the shelling order forests of particles in a binding patch |
| CT_Union_of_balls_mesh_3_module | Module computing a sampling of an input boundary of the union of 3D balls. Module computing a sampling of an input boundary of the union of 3D balls |
| CT_Union_of_balls_surface_volume_3_module | Module computing the surface area and the volume of the union of an input set of 3D balls. Module computing the surface area and the volume of the union of an input set of 3D balls |
| CUnion_of_balls_surface_volume_3 | Contains pointers over two functors for computing the volumes and surfaces areas with different level of exactness |
| NMolecular_cradle_step1 | |
| CCradle_step1 | |
| NMolecular_cradle_step2 | |
| CCradle_step2 | |
| NMolecular_cradle_step2_selected | |
| CCradle_step2_selected | |
| NMolecular_cradle_step3 | |
| CCradle_step3 | |
| NMolecular_cradle_utils_dendogram | |
| CDendogram_processor | |
| CMatrix_processor | |
| NMolecular_cradle_utils_distance | |
| CDistance_calculator | |
| NMolecular_cradle_utils_label_selection | |
| CLabel_selector | |
| NMultiple_interface_string_alignment | |
| CChain_instances | |
| CInterface_oneside | |
| CInterface_pool | |
| CInterface_strings | |
| CMISA | |
| CMISA_constructor | |
| CResidue_mapping | |
| NPALSE | |
| CBioPDB_vs_XML_Etree | |
| CPALSE_DS_manipulator | |
| CPALSE_statistic_handle | |
| CPALSE_xml_DB | |
| CPython_dico_vs_XML_Etree | |
| NParams_base | |
| CIOI_tuple | \sbl_add_package_main_class{Script_design, SBL.Params_base.IOI_tuple, Long: A dataclass storing the data members to initialize IO and interaction Short: A dataclass storing the data members to initialize IO and interaction } i################################################################################ |
| CParams_base | \sbl_add_package_main_class{Script_design, SBL.Params_base.Params_base, Long: The base class to inherit from to enjoy automatic handling of output and interaction modes Short: The base class to inherit from to enjoy automatic handling of output and interaction modes } i################################################################################ |
| CParams_IOI | \sbl_add_package_main_class{Script_design, SBL::Params_base::Params_IO, Long: A base class handling paths and filenames for outputs Short: A base class handling paths and filenames for outputs } i################################################################################ |
| CParams_zero | \sbl_add_package_main_class{Script_design, SBL.Params_base.Params_zero, Long: A base class to automatically setup data members from kwargs Short: A base class to automatically setup data members from kwargs } i################################################################################ |
| CSBL_base_parser | \sbl_add_package_main_class{Script_design, SBL.Params_base.SBL_base_parser, Long: A base parser providing default ubiquitous options Short: A base parser providing default ubiquitous options } i################################################################################ |
| NPDB_complex_to_unbound_partners_matchings | |
| CPDB_complex_to_unbound_partners_matcher | |
| NProtein_complex_analysis_molecular_data_structures | |
| CAtom_data | The properties of an atom as given by vorshell + vorlume |
| CAtomic_contact_data | Information about contacts between atoms |
| CChain_data | Essentially a collection of Residue_data |
| CComplex_data_collector | |
| CFile_data | Essentially a collection of Chain_data |
| CResidue_contact_data | The properties of a residue as given by vorshell + vorlume |
| CResidue_data | The properties of a residue as given by vorshell + vorlume |
| NSBL_Genetrank_gene_radar_scatter_plot | |
| CGenetrank_gene_radar | |
| NSBL_Genetrank_gene_to_protein | |
| CGenetrank_GeneProteinTranslator | |
| CGenetrank_Translations | |
| NSBL_Genetrank_network_statistical_analysis | |
| CGenetrank_network_statistical_analysis | |
| NSBL_pytools | |
| CSBL_pytools | \sbl_add_package_main_class{Script_design, SBL.SBL_pytools.SBL_pytools, Long: class providing utilities to handles files and directories Short: class providing utilities to handles files and directories } i################################################################################ |
| CSBL_pytools_latex | \sbl_add_package_main_class{Script_design, SBL.SBL_pytools.SBL_pytools_latex, Long: class providing utilities to generated latex reports Short: class providing utilities to generated latex reports } i################################################################################ |
| NSequence_annotators | |
| CAnnotated_sequence | |
| CFeature | Undefined |
| CPhobius_annotator | |
| NSequence_filters | |
| CClass_II_filter | |
| CTransmembrane_filter | |
| NSESC_model | |
| CSpherical_outlier_detector | \sbl_add_package_main_class{Cluster_ksubspace, SBL::Cluster_ksubspace::SESC_model , Long: Class implementing the spherical cluster model Short: Class implementing the spherical cluster model} i################################################################################ |
| NSESC_solver_via_clarke | |
| CTraj_type | Todo: |
| Nspectraldom_post_analysis_services | |
| CSpectraldomPostAnalyzer | |
| NSVM_cluster_challenger | |
| CCluster_challenger | 1 cluster challenge i################################################################################ |
| CCluster_challenger_two | 2 clusters challenge i################################################################################ |
| NUnion_find | |
| CUnion_find_DS | \sbl_add_package_main_class{Union_find, SBL.Union_find.Union_find_DS , Long: Union-find data structure Short: Union-find data structure} i################################################################################ |
| CUnion_find_wrapper | \sbl_add_package_main_class{Union_find, SBL.Union_find.Union_find_wrapper , Long: wrapper for the Union-find data structure Short: warpper for the Union-find data structure} i################################################################################ |
| NUnion_find_null_model | |
| CUF_null_model | \sbl_add_package_main_class{PDB_utilities, SBL::PDB_utilities::UF_null_model , Long: this class implements the null model for filtrations Short: this class implements the null model for filtrations } i################################################################################ |
| CSBL_init_tools | Accessing env variable |
| Cbranch_and_bound | |
| Cclass | Reselect seeds in reverse order using D2 weighting |
| Cdp_mat_apurva | |
| CGet_not_annotator_option_name | Returns empty option name |
| Clambda_matrix | |
| CModules_collection | Base module from which any module should inherit |
| COrdered_chain_cosnt_iterator | Generic dihedral angle iterator for arbitrary ordred atom chain (const) |
| COrdered_chain_iterator | Iterative enumeration of torsion angles by finding consecutive four-tuples along the side chain |
| Cparameters | |
| Cproblem | |
| CMCI_Contact | |
| CMCI_Oligomers | |
| CUItoJsonConverter | |
| CB_factor_color_engine | |
| CB_factor_coloring_parser | |
| CBSA_color_engine | |
| CBSA_coloring_parser | |
| CcMISA_constructor | |
| CcMISA_recorder | |
| CColorbarTools | |
| CColored_MISA | |
| CCompute_interface_lRMSD | |
| CCreate_And_Compute_iRMSD | |
| CDefault_color_engine | |
| CDelta_ASA_color_engine | |
| CDelta_ASA_coloring_parser | |
| CExtract_shared_PDB_interface | |
| CMISA_input_specification_parser | |
| CPlot_tools | |
| CResSelector | |
| CSSE_color_engine | |
| CSSE_coloring_parser | |
| CPPIN_application | |
| CPPIN_gene_radar_scatter_plot | |
| CGenetrank_simulation_input | |
| CPPIN_simulation | |
| CPPIN_simulation_result | |
| CPPIN_multiple_simulation_statistics | |
| CPPIN_simulation_statistics | |
| CPPIN_simulation_visualizations | |
| CT_Biopolymer_chain_representation | Representation of a single biopolymer chain |
| CT_Minimal_oritend_spanning_forest_module | Module building the minimal spanning forest of a weighted bipartite graph Module building the minimal spanning forest of a weighted bipartite graph |
