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fix 2 considered_atoms_sel
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jamesmkrieger committed Sep 13, 2024
1 parent 15b01b4 commit 2d633d5
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion prody/proteins/waterbridges.py
Original file line number Diff line number Diff line change
Expand Up @@ -457,7 +457,7 @@ def calcWaterBridges(atoms, **kwargs):
'{0} and name "{1}" and within {2} of water'.format(considered_atoms_sel,
getElementsRegex(set(donors+acceptors)), distWR))

proteinHydrogens = consideredAtoms.select('{0} and hydrogen').format(considered_atoms_sel) or []
proteinHydrogens = consideredAtoms.select('{0} and hydrogen'.format(considered_atoms_sel)) or []
proteinHydroPairs = findNeighbors(
proteinHydrophilic, DIST_COVALENT_H, proteinHydrogens) if proteinHydrogens else []
for hydrophilic in proteinHydrophilic:
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