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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
Type "copyright", "credits" or "license()" for more information.

****************************************************************
Personal firewall software may warn about the connection IDLE
makes to its subprocess using this computer's internal loopback
interface.  This connection is not visible on any external
interface and no data is sent to or received from the Internet.
****************************************************************

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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