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wuxi_czy

新虫 (初入文坛)

应助: 0 (幼儿园)
金币: 90.6
帖子: 22
在线: 30.1小时
虫号: 1550556
注册: 2011-12-25
专业: 微生物生理与生物化学

[求助] Autodock活性中心由金属离子和非标准氨基酸的对接已有1人参与

大家好，

最近我在对接金属酶和它的底物时遇到了问题。受体是腈水合酶，活性中心由一个金属钴离子和两个被氧化的半胱氨酸（非标准氨基酸）。对接过程没有出错，但是到了结果分析，一按interaction就会报错
我把错误和原始文件上传了  请大家帮我看看怎么处理这个问题参数应该怎么修改呢  谢谢大家了
*Python Shell*
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
ERROR *********************************************
Traceback (most recent call last):
  File "/usr/lib/python2.7/dist-packages/ViewerFramework/VF.py", line 929, in tryto
result = command( *args, **kw )
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py", line 3087, in doit
self.build()
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py", line 2922, in build
self.buildLigandDisplay()
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py", line 2788, in buildLigandDisplay
self.vf.computeMSMS(lig, surfName, perMol=1, topCommand=0, display=self.showMsms.get())
AttributeError: MoleculeViewer instance has no attribute 'computeMSMS'
Unable to assign HYB type to atom Co
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
ERROR *********************************************
Traceback (most recent call last):
  File "/usr/lib/python2.7/dist-packages/ViewerFramework/VF.py", line 929, in tryto
result = command( *args, **kw )
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py", line 3087, in doit
self.build()
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py", line 2922, in build
self.buildLigandDisplay()
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py", line 2788, in buildLigandDisplay
self.vf.computeMSMS(lig, surfName, perMol=1, topCommand=0, display=self.showMsms.get())
AttributeError: MoleculeViewer instance has no attribute 'computeMSMS'

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