ADL: Error visualizing interactions

latha latha.9999 at gmail.com
Wed Apr 22 09:21:43 PDT 2009


Hi,

            I am trying to visualize interactions using the .dlg file and
the .pdbqt file.  I tried both ADT1.5.2 and 1.5.4 versions by choosing
AD4.1. I have used autodock4 for docking. I searched archives, but I didn't
find much help. I am posting for the second time.

I  am getting the following error

>>> ERROR *********************************************
Traceback (most recent call last):
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\ViewerFramework\VF.py", line 716, in tryto
    result = apply( command, args, kw )
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\AutoDockTools\autoanalyzeCommands.py", line 2087, in
doit
    self.build()
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\AutoDockTools\autoanalyzeCommands.py", line 1912, in
build
    self.intDescr = InteractionDescriptor(lig, macro, percentCutoff)
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\MolKit\interactionDescriptor.py", line 46, in __init__
    self.build(detect_pi=detect_pi)
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\MolKit\interactionDescriptor.py", line 56, in build
    self.buildCloseContactAtoms(percentCutoff)              #
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\MolKit\interactionDescriptor.py", line 65, in
buildCloseContactAtoms
    self.macro_atoms, percentCutoff=percentCutoff)
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\MolKit\distanceSelector.py", line 106, in select
    bigC = Numeric.resize(c, (lenC, lenC, 3))
  File "C:\Program Files\MGLTools
1.5.2\MGLToolsPckgs\numpy\core\fromnumeric.py", line 541, in resize
    a = concatenate( (a,)*n_copies)
MemoryError

Orelse is there any other software, I can use for this purpose? Any kind of
help in this regard is highly appreciable.

Thanks and regards,
Latha,
Graduate student.


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