Analysis

Once you’ve run your batch of mutations (e.g. via run_mutation_batch.py), you’ll get:

A CSV with columns: residue_number, original, mutated, category, chain, mutation, rmsd, com_shift.
Plots showing how each mutation affects structure.

RMSD per Mutation

Plot of RMSD for each mutation

Center‐of‐Mass Shift per Mutation

Plot of centre‐of‐mass shifts

Interpretation

High RMSD indicates large backbone perturbations.
High COM shift signals significant repositioning of the mutated residue.