rstoolbox.analysis.
positional_structural_identity
(df, seqID=None, ref_sse=None, key_residues=None)¶Per position evaluation of how many times the provided data matches the expected
reference_structure
.
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Example
In [1]: from rstoolbox.io import parse_rosetta_file
...: from rstoolbox.analysis import positional_structural_identity
...: 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",
...: {'scores': ['score'], 'structure': 'C'})
...: df.add_reference_structure('C', df.get_structure('C').values[0])
...: df = positional_structural_identity(df.iloc[1:], 'C')
...: df.head()
...:
Out[1]:
sse max_sse identity_perc
1 L L 1.000000
2 E E 0.212389
3 E E 0.985841
4 E E 1.000000
5 E E 1.000000