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mliwang

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专业: 人工智能与知识工程

[求助] 在autodock上做分子对接出现的问题已有1人参与

我按照教程自己找大分子和小分子的mol2文件和pdb文件然后在autodock上做分子对接，然后在analyze___docking___open的时候就出现
Python 2.5.2 (r252:60911, Feb 21 2008, 13:11:45) [MSC v.1310 32 bit (Intel)] on win32
Type "copyright", "credits" or "license()" for more information.

****************************************************************
Personal firewall software may warn about the connection IDLE
makes to its subprocess using this computer's internal loopback
interface.  This connection is not visible on any external
interface and no data is sent to or received from the Internet.
****************************************************************

IDLE 1.2.2    ==== No Subprocess ====
>>> exception in _buildInputLig
ERROR *********************************************
Traceback (most recent call last):
  File "E:\secondautodock\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
result = command( *args, **kw )
  File "E:\secondautodock\lib\site-packages\AutoDockTools\autoanalyzeCommands.py", line 3852, in doit
d.readDlg(dlgFile)
  File "E:\secondautodock\lib\site-packages\AutoDockTools\Docking.py", line 105, in readDlg
self.ch = ConformationHandler(self.ligMol,
AttributeError: Docking instance has no attribute 'ligMol'

我对接的受体和配体还有最后打不开的dlg文件都在附件里面，希望大神们能帮我解决下，我邮箱1969671488@qq.com

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附件 1 : 5diu.pdb

2016-04-13 09:08:48, 233.59 K

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弋兀

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【答案】应助回帖

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xn8008: 金币+1, 欢迎发帖交流 2016-08-14 08:31:03

”the "AttributeError: Docking instance has no attribute 'ligMol'" could also be related to
an incomplete Dlg file (i.e. the docking didn't finished or it wasn't successful), so the
script is not able to find the docked coordinates to be summarized.“