Skip to main content
Ctrl+K
📣 HBAT 2 Web Interface is Live! 🚀 Try it out at here
HBAT Latest Version - Home HBAT Latest Version - Home
  • GitHub
  • Abhishek Tiwari
  • PyPI

User Guide

  • Installation
  • Quick Start Guide
  • Command-Line Interface
  • Analysis Parameters Guide
  • PDB Structure Fixing
  • Presets Management
  • License
  • References

Developer Guide

  • API Reference
    • Module Overview
      • Molecular Interaction Analyzer
      • Molecular Interaction Data Structures
      • Core Data Structures
      • PDB File Parser
      • PDB Structure Fixer
      • Vecctor Support
    • CCD Package
      • CCD Analyzer
      • Constants Generator
      • Generate CCD Constants
    • Main CLI Module
    • Graphical User Interface
    • Constants
      • Analysis Parameters
      • Atomic Data
      • PDB Structure Constants
      • Miscellaneous Constants
      • Application Metadata
    • Utilities
      • Atom Utilities
      • GraphViz Utilities
    • API Usage Examples
  • API Usage Examples
  • Development Guide
  • Algorithm & Calculation Logic
  • Repository
  • Suggest edit
  • Open issue

Module Overview

Module Overview#

  • Molecular Interaction Analyzer
    • NPMolecularInteractionAnalyzer
    • Interaction Calculation Methods
  • Molecular Interaction Data Structures
    • MolecularInteraction
    • HydrogenBond
    • HalogenBond
    • PiInteraction
    • PiPiInteraction
    • CarbonylInteraction
    • NPiInteraction
    • CooperativityChain
  • Core Data Structures
    • Bond
    • Atom
    • Residue
  • PDB File Parser
    • PDBParser
    • Bond Detection Methods
  • PDB Structure Fixer
    • PDBFixerError
    • PDBFixer
    • add_missing_hydrogens()
    • fix_pdb_file()
    • add_missing_heavy_atoms()
    • convert_nonstandard_residues()
    • remove_heterogens()
  • Vecctor Support
    • NPVec3D
    • compute_distance_matrix()
    • batch_angle_between()
    • batch_dihedral_angle()

previous

API Reference

next

Molecular Interaction Analyzer

By Abhishek Tiwari

© Copyright 2025, Abhishek Tiwari.