Welcome to CodeEntropy’s documentation!

This code is based on the CodeEntropy tool with POSEIDON code integrated to form a complete and generally applicable set of tools for computing entropy of macromolecular systems from the forces sampled in a MD simulation.

Contents:

• Getting Started
  • Requirements
  • Installation
  • Input
  • Units
  • Quick start guide
• Run As Script
  • 1. Loading data
  • 2a. Solute Analysis
  • 2b. Solvent Analysis
• Script Example
  • Calculating entropy of DNA strand (Solute)
  • Calculate Solvent Entropy for a capped amino acid (Solvent)
  • Calculating entropy of lysozyme (Solute and Solvent)
• API Documentation
  • MDAnalysis Helper
  • Solute
  • Solvent
• Frequently asked questions
  • What are FF and TT entropy?
  • Why do I get nan or complex number result?
• Community guidelines
  • Contribute to the software
  • Report Issue
  • Seek support
• Developer’s Guide
  • Running tests

Indices and tables

• Index

• Module Index

• Search Page