Quick Start Guide
This guide will help you get started with HBAT for molecular interaction analysis.
Basic Usage
Command Line Interface
See full CLI options Command-Line Interface.
hbat input.pdb # Basic analysis
hbat input.pdb -o results.txt # Save results to file
hbat input.pdb --hb-distance 3.0 # Custom H-bond distance cutoff
hbat input.pdb --mode local # Local interactions only
hbat input.pdb --json results.json # Export to JSON format
hbat --list-presets # List available presets
hbat input.pdb --preset high_resolution # Use preset with custom overrides
hbat input.pdb --preset drug_design_strict --hb-distance 3.0
Graphical user interface
Luanch the GUI with the following command,
hbat-gui
See demo video below for a quick overview of the GUI.
Next Steps
Read the Command-Line Interface for detailed CLI documentation
Read the API Reference for detailed API documentation
Check out API Usage Examples for more complex use cases using HBAT analysis API
Explore the parameters in Analysis Parameters Guide to customize your analysis