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穆云枫和时雨

金虫 (初入文坛)

[求助] 求助:autodock对接过程中遇到的问题

在设定受体的柔性残基输出时,出现如下信息提示,我不知道是什么原因,应该如何解决,希望有谁知道的能够提点一下。谢谢!
Traceback (most recent call last):
  File "C:\Python25\Lib\site-packages\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2219, in doit
    self.writeResidue(item, outfileptr)
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2399, in writeResidue
    self.process(at, at2, outfileptr)
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2413, in process
    self.process(fromAtom, nextAtom, outfileptr)
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2408, in process
    queue = self.writeBreadthFirst(outfileptr, fromAtom, nextAtom)
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2511, in writeBreadthFirst
    newQ = self.writeLevel(at2, outfptr)
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2457, in writeLevel
    nq = self.writeLevel(a2, outfptr)
  File "C:\Python25\Lib\site-packages\lib\site-packages\AutoDockTools\autoflexCommands.py", line 2433, in writeLevel
    if b.activeTors:
AttributeError: Bond instance has no attribute 'activeTors'
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穆云枫和时雨

金虫 (初入文坛)

谢谢楼上的链接,我会尽量看完的
2楼2014-03-21 12:29:39
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坚守2012

新虫 (初入文坛)

你好,请问最后是咋解决的,我也遇到同样的问题
学习学习
3楼2021-05-12 15:37:57
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