rstoolbox.components.DesignFrame.get_reference_structure¶

DesignFrame.get_reference_structure(seqID, key_residues=None)¶

Get the reference_structure attached to chain seqID.

Parameters:	seqID (str) – Identifier of the sequence of interest. key_residues (Union[int, list() of int, str, Selection]) – Residues of interest.
Raises:	TypeError: if the data container is not DataFrame or Series. KeyError: if there is no reference_structure for chain seqID of the decoys.

Example

In [1]: from rstoolbox.io import parse_rosetta_file
   ...: import pandas as pd
   ...: pd.set_option('display.width', 1000)
   ...: pd.set_option('display.max_columns', 500)
   ...: df = parse_rosetta_file("../rstoolbox/tests/data/input_ssebig.minisilent.gz",
   ...:                         {'sequence': 'C', 'structure': 'C'})
   ...: df.add_reference_structure('C', df.iloc[0].get_structure('C'))
   ...: df.get_reference_structure('C')
   ...: 
Out[1]: 'LEEEEEEELLLEEEEEEELLLLHHHHHHHHHHHHLLLLLLLLLLLEEEELLLEEEELL'