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anyachan

木虫 (小有名气)

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虫号: 2032460
注册: 2012-09-26
性别: MM
专业: 药物设计与药物信息

[求助] windows下的autodock显示相互作用时报错

我在windows中用autodock分析对接后的结果，点击show interaction时就报错
Python Shell中显示信息如下：
ERROR *********************************************
Traceback (most recent call last):
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
result = command( *args, **kw )
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3087, in doit
self.build()
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2910, in build
self.intDescr = InteractionDescriptor(lig_atoms, macro_atoms, percentCutoff)
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__
self.build(detect_pi=detect_pi)
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build
self.buildCloseContactAtoms(percentCutoff)             #
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms
self.macro_atoms, percentCutoff=percentCutoff)
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\MolKit\distanceSelector.py", line 106, in select
bigC = Numeric.resize(c, (lenC, lenC, 3))
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize
a = concatenate( (a,)*n_copies)
MemoryError

我卸载重新安装了三四次仍是如此~有人知道是怎么回事吗？谢谢啦~

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