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:

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`

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