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Fix AttributeError in calcHydrophobic from nested select() call #2197

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Fix AttributeError in calcHydrophobic from nested select() call #2197

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Copilot Dec 15, 2025
cfa8e63
Fix AttributeError in calcHydrophobic by removing redundant select() …
Copilot Dec 15, 2025
bdec243
Remove accidentally committed test file and add .npy to gitignore
Copilot Dec 15, 2025
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1 change: 1 addition & 0 deletions .gitignore
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Expand Up @@ -54,3 +54,4 @@ Documentation/*
*log
*BAK
*.sublime*
*.npy
2 changes: 1 addition & 1 deletion prody/proteins/interactions.py
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Expand Up @@ -1505,7 +1505,7 @@ def calcHydrophobic(atoms, **kwargs):
sele2_filter = sele2_filter.select('all and not (resname TYR PHE TRP or resid '+str(i[0])+' and chain '+i[1]+')')
elif sele1_name[0] not in aromatic and i in sele2_nr:
# don't include same residue interactions but don't worry about double counting pi stacking
sele2_filter = sele2_filter.select(sele2.select('all and not (resid '+str(i[0])+' and chain '+i[1]+')'))
sele2_filter = sele2_filter.select('all and not (resid '+str(i[0])+' and chain '+i[1]+')')

if sele2_filter != None:
listOfAtomToCompare = cleanNumbers(findNeighbors(sele1, distA, sele2_filter))
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