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难忘_kitten

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[求助] show interactions出错~~~到最后一步出错了,情何以堪

Python 2.5.2 (r252:60911, Feb 21 2008, 13:11:45) [MSC v.1310 32 bit (Intel)] on win32
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IDLE 1.2.2      ==== No Subprocess ====
>>> Unable to assign HYB type to atom N
ERROR *********************************************
Traceback (most recent call last):
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3087, in doit
    self.build()
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2910, in build
    self.intDescr = InteractionDescriptor(lig_atoms, macro_atoms, percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__
    self.build(detect_pi=detect_pi)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build
    self.buildCloseContactAtoms(percentCutoff)              #
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms
    self.macro_atoms, percentCutoff=percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\distanceSelector.py", line 106, in select
    bigC = Numeric.resize(c, (lenC, lenC, 3))
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize
    a = concatenate( (a,)*n_copies)
MemoryError
Unable to assign HYB type to atom N
ERROR *********************************************
Traceback (most recent call last):
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3087, in doit
    self.build()
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2910, in build
    self.intDescr = InteractionDescriptor(lig_atoms, macro_atoms, percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__
    self.build(detect_pi=detect_pi)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build
    self.buildCloseContactAtoms(percentCutoff)              #
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms
    self.macro_atoms, percentCutoff=percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\distanceSelector.py", line 106, in select
    bigC = Numeric.resize(c, (lenC, lenC, 3))
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize
    a = concatenate( (a,)*n_copies)
MemoryError
Unable to assign HYB type to atom N
ERROR *********************************************
Traceback (most recent call last):
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3087, in doit
    self.build()
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2910, in build
    self.intDescr = InteractionDescriptor(lig_atoms, macro_atoms, percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__
    self.build(detect_pi=detect_pi)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build
    self.buildCloseContactAtoms(percentCutoff)              #
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms
    self.macro_atoms, percentCutoff=percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\distanceSelector.py", line 106, in select
    bigC = Numeric.resize(c, (lenC, lenC, 3))
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize
    a = concatenate( (a,)*n_copies)
MemoryError
Unable to assign HYB type to atom N
ERROR *********************************************
Traceback (most recent call last):
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3087, in doit
    self.build()
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2910, in build
    self.intDescr = InteractionDescriptor(lig_atoms, macro_atoms, percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__
    self.build(detect_pi=detect_pi)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build
    self.buildCloseContactAtoms(percentCutoff)              #
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms
    self.macro_atoms, percentCutoff=percentCutoff)
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\MolKit\distanceSelector.py", line 106, in select
    bigC = Numeric.resize(c, (lenC, lenC, 3))
  File "D:\AutoDOCK\mgltools_source_1.5.6\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize
    a = concatenate( (a,)*n_copies)
MemoryError
求看看错在哪?
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