MutantFinderStruc

MutantFinderStruc is a desktop application designed for researchers investigating the structural and energetic effects of missense mutations in proteins. The application enables users to load a protein structure in PDB format and automatically generate descriptive statistics, including amino‑acid composition, chain‑level distributions, and residue charge properties. Its core functionality performs an exhaustive in‑silico missense mutation scan using PyRosetta, in which each residue is systematically substituted with all other amino acids, followed by structural relaxation. For each mutant, the tool computes Rosetta energy values, ΔΔG relative to the wild type, and Cα RMSD to quantify both energetic and structural perturbations. Results are exported in tabular form and complemented by interactive visualizations, including RMSD–ΔΔG plots, RMSD distributions, and Ramachandran analysis for structural quality assessment. By integrating mutation generation, scoring, and visualization into a single graphical interface, MutantFinderStruc streamlines otherwise manual Rosetta workflows and enables faster identification of mutations with potentially significant structural or stability impacts. The main challenges of this software is that the environment is hard to solve. There are instructions on the github readme about how to install the needed libraries and frameworks.

Built With

• biopython
• matplotlib
• mplcursor
• pandas
• pyrosetta
• pyside6
• python