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Commit 52a440f

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Sebastian Salentin
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Fixes a small error in detection module affecting pi-stacking
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plip/modules/detection.py

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Original file line numberDiff line numberDiff line change
@@ -146,7 +146,7 @@ def pistacking(rings_bs, rings_lig):
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passed = True
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if passed:
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contact = data(proteinring=r, ligandring=l, distance=d, angle=a, offset=offset,
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type='T', resnr=resnr, restype=restype, reschain=reschain,
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type=ptype, resnr=resnr, restype=restype, reschain=reschain,
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resnr_l=resnr_l, restype_l=restype_l, reschain_l=reschain_l)
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pairings.append(contact)
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return filter_contacts(pairings)

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