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fix angleDHA
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jamesmkrieger committed Nov 18, 2024
1 parent 07ef035 commit ec00e2d
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion prody/proteins/interactions.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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)
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