pyrosetta_score
Score a PDB file to evaluate structure quality or compare designs, returning total energy in REU with optional per-residue energy breakdown.
Instructions
Score a PDB file using PyRosetta. Returns total energy in REU. Use to evaluate structure quality or compare designs. Optionally returns per-residue energy breakdown. Requires local installation.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| pdb_path | Yes | Path to input PDB | |
| scorefxn | No | Score function name (default: ref2015) | |
| per_residue | No | If true, include per-residue energy breakdown (default: false) |