From ec00e2d0666cbfe6f48ade29ae8336ccf8c2da76 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Mon, 18 Nov 2024 13:45:19 +0100 Subject: [PATCH] fix angleDHA --- prody/proteins/interactions.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/prody/proteins/interactions.py b/prody/proteins/interactions.py index 4ac276960..eb80779f0 100644 --- a/prody/proteins/interactions.py +++ b/prody/proteins/interactions.py @@ -522,7 +522,7 @@ def calcHydrogenBonds(atoms, **kwargs): :arg angleDHA: non-zero value, maximal (180 - D-H-A angle) (donor, hydrogen, acceptor). default is 40. - angle also works + angle and angleDA also work :type angleDHA: int, float :arg seq_cutoff_HB: non-zero value, interactions will be found between atoms with index differences @@ -576,6 +576,7 @@ def calcHydrogenBonds(atoms, **kwargs): distA = kwargs.pop('distA', distDA) angleDHA = kwargs.pop('angleDA', 40) + angleDHA = kwargs.pop('angleDHA', angleDHA) angle = kwargs.pop('angle', angleDHA) seq_cutoff_HB = kwargs.pop('seq_cutoff_HB', 25)