Joined: Thu Feb 23, 2017 11:02 pm Posts: 1
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Hi every one I have used Hex 8.0.0 for docking of ligand and receptor then docking results in pdb was opened in Autodock to analyse binding site.After selecting receptor, I used two below pathways to determine binding site: 1-Display>interactions 2-Edit> misc> check for close contacts But both resulted in the following error: IDLE 1.2.2 ==== No Subprocess ==== >>> ERROR ********************************************* Traceback (most recent call last): File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto result = command( *args, **kw ) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\Pmv\displayCommands.py", line 4921, in doit self.build(lig, macro) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\Pmv\displayCommands.py", line 4787, in build self.intDescr = InteractionDescriptor(lig, macro, percentCutoff) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__ self.build(detect_pi=detect_pi) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build self.buildCloseContactAtoms(percentCutoff) # File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms self.macro_atoms, percentCutoff=percentCutoff) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\distanceSelector.py", line 127, in select dSQ = d * d MemoryError ERROR ********************************************* Traceback (most recent call last): File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto result = command( *args, **kw ) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\Pmv\displayCommands.py", line 4921, in doit self.build(lig, macro) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\Pmv\displayCommands.py", line 4787, in build self.intDescr = InteractionDescriptor(lig, macro, percentCutoff) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__ self.build(detect_pi=detect_pi) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build self.buildCloseContactAtoms(percentCutoff) # File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms self.macro_atoms, percentCutoff=percentCutoff) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\MolKit\distanceSelector.py", line 106, in select bigC = Numeric.resize(c, (lenC, lenC, 3)) File "C:\Program Files (x86)\MGLTools-1.5.6rc3\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize a = concatenate( (a,)*n_copies) MemoryError
Plz answer I really do need your help 
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