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Merge pull request #1992 from jamesmkrieger/insty_pi_stack
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replace PiStack angle_min_RB and angle_max_RB with PS versions
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jamesmkrieger authored Nov 19, 2024
2 parents e6faf3f + cc49efd commit 2ef6b96
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions prody/proteins/interactions.py
Original file line number Diff line number Diff line change
Expand Up @@ -966,11 +966,11 @@ def calcPiStacking(atoms, **kwargs):
distPS = kwargs.pop('distPS', 5.0)
distA = kwargs.pop('distA', distPS)

angle_min_RB = kwargs.pop('angle_min_RB', 0)
angle_min = kwargs.pop('angle_min', angle_min_RB)
angle_min_PS = kwargs.pop('angle_min_PS', 0)
angle_min = kwargs.pop('angle_min', angle_min_PS)

angle_max_RB = kwargs.pop('angle_max_RB', 360)
angle_max = kwargs.pop('angle_max', angle_max_RB)
angle_max_PS = kwargs.pop('angle_max_PS', 360)
angle_max = kwargs.pop('angle_max', angle_max_PS)

non_standard_PS = kwargs.get('non_standard_PS', {})
non_standard = kwargs.get('non_standard', non_standard_PS)
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