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Raised meaningful error for short peptide stretch #5163

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Raised meaningful error for short peptide stretch #5163

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f002bde
Raised meaningful error for short peptide stretch
spyke7 Nov 30, 2025
0d8e6be
Moved the logic for checking at the end of __init__()
spyke7 Nov 30, 2025
8d0d67b
Updated tests, changelog and dssp.py
spyke7 Nov 30, 2025
dc24b83
Updated the parameters part of atoms
spyke7 Dec 3, 2025
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7 changes: 7 additions & 0 deletions package/MDAnalysis/analysis/dssp/dssp.py
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Original file line number Diff line number Diff line change
Expand Up @@ -357,6 +357,13 @@ def __init__(
)
)

n_residues = len(ag.residues)
MIN_RESIDUES = 5
if n_residues < MIN_RESIDUES:
raise ValueError(
f"DSSP requires at least {MIN_RESIDUES} residues for secondary structure analysis, but only {n_residues} residue(s) were provided in the selection."
)

def _prepare(self):
self.results.dssp_ndarray = []

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