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如题,AutoDock在Show Interaction时出现Dimensions too large的错误。
传不上图,只好复制一下了,错误是这样的:
IDLE 1.2.2 ==== No Subprocess ====
>>> ERROR *********************************************
Traceback (most recent call last):
File "I:\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
result = command( *args, **kw )
File "I:\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3087, in doit
self.build()
File "I:\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 2912, in build
self.intDescr = InteractionDescriptor(lig, macro, percentCutoff)
File "I:\lib\site-packages\MolKit\interactionDescriptor.py", line 49, in __init__
self.build(detect_pi=detect_pi)
File "I:\lib\site-packages\MolKit\interactionDescriptor.py", line 60, in build
self.buildCloseContactAtoms(percentCutoff) #
File "I:\lib\site-packages\MolKit\interactionDescriptor.py", line 69, in buildCloseContactAtoms
self.macro_atoms, percentCutoff=percentCutoff)
File "I:\lib\site-packages\MolKit\distanceSelector.py", line 106, in select
bigC = Numeric.resize(c, (lenC, lenC, 3))
File "I:\lib\site-packages\numpy\core\fromnumeric.py", line 615, in resize
a = concatenate( (a,)*n_copies)
ValueError: dimensions too large.
dlg文件的结果都是有的,10个构象都可以查看,Info也能查看,结合能也都是负数,Cluster都能分析,就是Show Interaction出错了。
要怎么解决呢?我的对接结果是否 可靠呢?
如果binding energy、Ki都可信的话,我用得到的构象输出pdb在pymol或其它可视化软件里分析作用力,这样可以吗? |
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