From e0f4d102e7eab703fe2d9ca956b9aafc96a40f04 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Thu, 12 Sep 2024 15:26:32 +0200 Subject: [PATCH] rename putDUMatom --- prody/proteins/interactions.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/prody/proteins/interactions.py b/prody/proteins/interactions.py index b27a00fc4..35a9cfc4a 100644 --- a/prody/proteins/interactions.py +++ b/prody/proteins/interactions.py @@ -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, @@ -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')