From 2d633d59fa21811f8f966e40b2d0ff47cf621682 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Fri, 13 Sep 2024 17:40:19 +0200 Subject: [PATCH] fix 2 considered_atoms_sel --- prody/proteins/waterbridges.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/prody/proteins/waterbridges.py b/prody/proteins/waterbridges.py index ccf039bbf..90f284f87 100644 --- a/prody/proteins/waterbridges.py +++ b/prody/proteins/waterbridges.py @@ -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: