rstoolbox.io.parse_rosetta_pdb

rstoolbox.io.parse_rosetta_pdb(filename, keep_weights=False, per_residue=False, dropna=True)

Read the POSE_ENERGIES_TABLE from a Rosetta output PDB file.

The POSE_ENERGIES_TABLE only contain the score terms contained inside the executed score function. It will not add other score terms added through filters.

Parameters:
  • filename (str) – Name of the PDB file.
  • keep_weights (bool) – If True, keep the weights row.
  • per_residue (bool) – If True, keep a row of data for each residue. Otherwise, compress the sequence into sequence_{} columns.
  • dropna (bool) – If True, non-standard residues are dropped when making the sequence. Otherwise, it appears as X. Consider that modifications of residues that are known by Rosetta such as LYS:CtermProteinFull or HIS_D are considered standard in this context.
Returns:

DesignFrame