QMMMReBind’s Documentation

QMMMReBind is a python package designed to quantum mechanically reparameterize the ligand and its binding site in a receptor - ligand complex.

Contents:

• Getting Started
  • Introduction
  • Software Requirements
  • Installation and Setup Instructions
  • Gaussian 16
  • Input PDB file
• API Documentation
  • qmmmrebind.parameterize
• API Reference
  • qmmmrebind