rstoolbox.components.DesignSeries.get_structure¶

DesignSeries.get_structure(seqID, key_residues=None)¶

Return the structure data for seqID available in the container.

Parameters:

seqID (str) – Identifier of the sequence of interest.
key_residues (Union[int, list() of int, str, Selection]) – Residues of interest.

Returns:

str or Series - depending on the input

Raises:

TypeError:	if the data container is not `DataFrame` or `Series`.
KeyError:	If the column `structure_<seqID>` cannot be found.

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",
   ...:                         {'structure': 'C'})
   ...: df.get_structure('C').iloc[:5]
   ...: 
Out[1]: 
0    LEEEEEEELLLEEEEEEELLLLHHHHHHHHHHHHLLLLLLLLLLLEEEELLLEEEELL
1    LEEEEEEELLEEEEEEEELLLLHHHHHHHHHHHLLLLLLLLLLLEEEELLLLLEEEEL
2    LEEEEEEELLEEEEEEEELLLLHHHHHHHHHHHHLLLLLLLLLLEEEEELLLEEEEEL
3    LLLEEEEELLEEEEEELLLLLLHHHHHHHHHHHHLLLLLLLLLLEEEEELLLEEEEEL
4    LEEEEEEELLLEEEEEEELLLLHHHHHHHHHHHHLLLLLLLLLLLEEEELLLEEEELL
Name: structure_C, dtype: object