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[AutoDock&Vina] AUTODOCK结果分析时报错

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发表于 6 天前 | 显示全部楼层 |阅读模式

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在进行“.dlg" 文件结果分析时,按步骤”Analyze>Show Interactions"进行操作,出现以下错误,请问有人知道是哪里出现了问题吗?
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 2912, in build
    self.intDescr = InteractionDescriptor(lig, macro, 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
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