Usage Guide

Running the Web App

1. Activate your virtual environment (if not already active):

   source .venv/bin/activate
   

2. Start the Flask server:

   python app.py
   

3. Open your browser to:

   http://localhost:5000
   

4. Enter a 4‑character PDB ID and click Analyze.

Analyzing Single‐Point Mutations

1. On the results page, select a chain and residue number.

2. Enter the original and mutated one‐letter amino acids.

3. Click Analyse Mutation.

4. View RMSD, center‐of‐mass shift, and see the mutated residue highlighted.

Comparing Two Proteins

On the home page, provide two PDB IDs. The app will compute and display the RMSD between them.