toolbox

• atom_pair_energy
• cleaning
• extract_coords_pose
• generate_resfile
• load_ligand
• mutants
• numpy_utils
• py_jobdistributor
• rcsb

Brief: A toolbox of exposed methods for use in PyRosetta.

Remarks: These methods are useful in PyRosetta and are further intended to

demonstrate proper syntax for various common activities.

ONLY essential, tested, PyRosetta-exclusive methods should live here! Remember, the rest of the Python scripts in “toolbox/” are NOT supported, just provided, (ex. environment setup scripts, etc.).

For those interested, Rosetta has a Surface Area calculator and a Radius of Gyration calculator; they are EnergyMethods sa and rg, respectively. Create an empty ScoreFunction and use ScoreFunction.set_weight to use these calculations. Other common geometry calculators are CA_rmsd and all_atom_rmsd.

Author: Evan Baugh

Edits: Labonte