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6Â¥: Originally posted by ÀÏÂü7 at 2013-12-15 21:11:07
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2Â¥: Originally posted by ÇØÎÞéä at 2013-08-09 11:15:36
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ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷£¡ 2013-12-16 08:31:01
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3Â¥: Originally posted by jiazhuamh at 2013-08-09 14:13:15
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  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\MolKit\bondSelector.py", line 508, in select
    atype.assignHybridization(allAts)
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\PyBabel\atomTypes.py", line 137, in assignHybridization
    self.valence_two()
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\PyBabel\atomTypes.py", line 266, in valence_two
    angle1 = bond_angle(k.coords, a.coords, l.coords)
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\PyBabel\util.py", line 47, in bond_angle
    raise ZeroDivisionError("Input used:", a, b, c)
ZeroDivisionError: ('Input used:', [19.736999999999998, -1.0489999999999999, 13.952999999999999], [19.736999999999998, -1.0489999999999999, 13.952999999999999], [19.736999999999998, -1.0489999999999999, 13.952999999999999])
ERROR *********************************************
Traceback (most recent call last):
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoflexCommands.py", line 380, in doit
    flexList = filter(lambda x: x.torscount!=0, flex_residues)
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoflexCommands.py", line 380, in <lambda>
    flexList = filter(lambda x: x.torscount!=0, flex_residues)
AttributeError: Residue instance has no attribute 'torscount'
ERROR *********************************************
Traceback (most recent call last):
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoflexCommands.py", line 380, in doit
    flexList = filter(lambda x: x.torscount!=0, flex_residues)
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoflexCommands.py", line 380, in <lambda>
    flexList = filter(lambda x: x.torscount!=0, flex_residues)
AttributeError: Residue instance has no attribute 'torscount'
ERROR *********************************************
Traceback (most recent call last):
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
    result = command( *args, **kw )
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoflexCommands.py", line 380, in doit
    flexList = filter(lambda x: x.torscount!=0, flex_residues)
  File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autoflexCommands.py", line 380, in <lambda>
    flexList = filter(lambda x: x.torscount!=0, flex_residues)
AttributeError: Residue instance has no attribute 'torscount'
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ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷£¡ 2013-12-16 08:31:11
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5Â¥: Originally posted by ÇØÎÞéä at 2013-08-10 11:23:38
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8Â¥: Originally posted by swana at 2013-12-16 09:51:14
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6Â¥: Originally posted by ÀÏÂü7 at 2013-12-15 21:11:07
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