rstoolbox.components.DesignSeries.get_sequence

DesignSeries.get_sequence(seqID, key_residues=None)

Return the sequence 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 there is no sequence information 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_2seq.minisilent.gz",
   ...:                         {'sequence': 'AB'})
   ...: df.get_sequence('B')
   ...: 
Out[1]: 
0    TRPEEARERAWRLAEIAMRKGWEEHEREWEWWKRASKGREERDMLPERMIAAALRAIGEIFNAEWQMRLEMEKERKNPNAGEEKMKEQKKEAWKIAYYWGLMAAYWIKQHREKERK
1    PKPEEAMREAYKLIKKYMLKAQKEAQEEWERMRRTDGTKEEKDMFPEKMIAQALRAIGEIFNAYYWAFLKLQEFKKYPSVRWEEQEEARKRLKIMMKIGAEWAREIAREMKERIKR
2    TKPEEMAREAYKRMLKALKQGEEEMKRMYEQMKKGVDSKEERDMEPEKMIAIALRAIGELFNAWMKALRHMKELRKLGTSGPKEEEKHWRWIFELHRWAGEEIQRAAEIQERKARW
3    TKPEEWARWAYKEHLKMAEKHRKEMEIEWEELKRRDGKEEEKDMWPERMIAMALRAIGELFNHHMYAEMRAKEEKKKPEAKTEEARRARREIMKYHHEAGRLIEEAMRRLMERHKK
4    KKWEEMMREAERQGKEYAQKAWKEALLEWKWMRKRPVTEEMKDMAPEWMIAAALRAIGEHFNIYWQQKLEHEKLRKIPNVPEEELEKGKEELKRIEEEAARMAEKYMQELRKKMES
5    PRPEEMARFAKEEMHKHEEKAYREFLLEYELAIRKNPTEEPKDMQPEWAIAAALRAIGEIFNQWMYHLLEIRKENGSSHTRYEEREKYRKLAKRLHEEAAKEIWKFMHEAMRRFES
Name: sequence_B, dtype: object