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rename putDUMatom
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jamesmkrieger committed Sep 12, 2024
1 parent 370e561 commit e0f4d10
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions prody/proteins/interactions.py
Original file line number Diff line number Diff line change
Expand Up @@ -2234,7 +2234,7 @@ def saveInteractionsAsDummyAtoms(atoms, interactions, filename, **kwargs):

RESNAME_dummy = kwargs.pop('RESNAME_dummy', 'DUM')

def putDUMatom(coord1, coord2):
def calcDUMposition(coord1, coord2):
midpoint = [
(coord1[0] + coord2[0]) / 2,
(coord1[1] + coord2[1]) / 2,
Expand Down Expand Up @@ -2262,7 +2262,7 @@ def putDUMatom(coord1, coord2):
res2_name = 'chain '+i[5]+' resname '+i[3][:3]+' and resid '+i[3][3:]+' and index '+' '.join(i[4].split('_'))
res2_coords = calcCenter(atoms.select(res2_name))

all_DUMs.append(putDUMatom(res1_coords, res2_coords))
all_DUMs.append(calcDUMposition(res1_coords, res2_coords))

if all_DUMs == []:
LOGGER.info('Lack of interactions')
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