12 April 2022 0 7K Report

When trying to do: Analyze→Docking→Show Interactions

ERROR *********************************************

Traceback (most recent call last):

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto

result = command( *args, **kw )

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3095, in doit

self.build()

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2920, in build

self.intDescr = InteractionDescriptor(lig, macro, percentCutoff)

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\interactionDescriptor.py", line 47, in __init__

self.build(detect_pi=detect_pi)

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\interactionDescriptor.py", line 58, in build

self.buildCloseContactAtoms(percentCutoff) #

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\interactionDescriptor.py", line 67, in buildCloseContactAtoms

self.macro_atoms, percentCutoff=percentCutoff)

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\distanceSelector.py", line 105, in select

bigC = numpy.resize(c, (lenC, lenC, 3))

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\numpy\core\fromnumeric.py", line 1149, in resize

a = concatenate((a,)*n_copies)

MemoryError

I tried to perform it in different PCs always the same issue and also when I tried with another dlg file from another Protein/Ligand it showed the interaction normaly!

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