API Reference

This section contains the complete API documentation for HBAT.

Core Modules

• Core Analysis Engine
• Analysis Module
  • MolecularInteraction
  • HydrogenBond
  • HalogenBond
  • PiInteraction
  • CooperativityChain
  • AnalysisParameters
  • HBondAnalyzer
  • Classes
  • Interaction Classes
• PDB Parser Module
  • Atom
  • Residue
  • PDBParser
  • Classes
• Vector Mathematics Module
  • Vec3D
  • unit_vector_between()
  • angle_between_vectors()
  • dihedral_angle()
  • Classes
  • Functions

Command Line Interface

• Command Line Interface
• Main CLI Module
  • create_parser()
  • get_example_presets_directory()
  • list_available_presets()
  • load_preset_file()
  • resolve_preset_path()
  • load_parameters_from_args()
  • print_progress()
  • print_error()
  • validate_input_file()
  • format_results_text()
  • export_to_json()
  • export_to_csv()
  • run_analysis()
  • main()
  • Functions

Graphical User Interface

• Graphical User Interface
• Main Window
  • MainWindow
• Parameter Panel
  • ParameterPanel
• Results Panel
  • ResultsPanel
• Chain Visualization
  • ChainVisualizationWindow

Constants and Utilities

• Constants and Configuration
  • Constants Module

API Usage Examples

• API Usage Examples
• Basic Analysis
  • Simple Hydrogen Bond Analysis
  • Advanced Parameter Customization
  • Multi-Type Interaction Analysis
• Batch Processing
  • Processing Multiple Structures
  • Comparative Analysis
• Data Export and Visualization
  • Detailed CSV Export
  • JSON Export with Metadata
• Specialized Analysis Tasks
  • Drug-Target Interaction Analysis
  • Membrane Protein Analysis
• Integration with Other Tools
  • Using with Pandas for Analysis