ADL: Error visualizing interactions

许文 xuwenpku at 163.com
Wed Apr 22 18:58:25 PDT 2009


I also have the same problem like yours this days when I want to show the interactions using the analysis menu as discribed in manul. But when I do this using the display menu at the top of ADT window( my system is Windows XP, but I don't know yours), the program can show me the interaction graphic in the viewer without any errors warning. Maybe you can try this way as I said. 
Best wishes.
Wen







在2009-04-23,latha <latha.9999 at gmail.com> 写道:
>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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