在PyMOL中使用Autodock/Vina插件时遇到错误

Question

我是PyMOL的初学者，我正在将它用于我的对接项目。我在PyMOL中使用Autodock/Vina插件时遇到错误。

我试图进行网格设置，当我点击允许我更改网格参数x、y和z的箭头时，出现了错误1。

至于错误2，它发生在我试图在下一页上生成受体的时候。

在日志部分，我还收到了一条通知，上面写着"；批次：prepare_receptor4.py-r C:\Users\User\Desktop\plugin-test\receptor.3ig7.pdb-o C:\Users\User\Deskt\plugin\test\receiver.3ig7.pdbqt-A checkhydrogen">

如果你能告诉我缺少什么或应该做些什么来解决这些错误，我将不胜感激。

我期待着阅读你的任何回复，我提前感谢你，

Elayne

Error: 1
TypeError Exception in Tk callback
Function: <bound method Autodock.n_points_Y_changed of <pmg_tk.startup.autodock_plugin.Autodock object at 0x0000020649CD9388>> (type: <class 'method'>)
Args: ('scroll', '1', 'units')
Traceback (innermost last):
File "C:UsersUserAppDataLocalSchrodingerPyMOL2libsite-packagesPmw.py", line 1823, in __call__
return self.func(*args)
TypeError: n_points_Y_changed() takes 2 positional arguments but 4 were given
Error: 2
FileNotFoundError Exception in Tk callback
Function: <bound method Autodock.generate_receptor of <pmg_tk.startup.autodock_plugin.Autodock object at 0x0000020649CD9388>> (type: <class 'method'>)
Args: ()
Traceback (innermost last):
File "C:UsersUserAppDataLocalSchrodingerPyMOL2libsite-packagesPmw.py", line 1823, in __call__
return self.func(*args)
File "C:UsersUserAppDataLocalSchrodingerPyMOL2libsite-packagespmg_tkstartupautodock_plugin.py", line 1940, in generate_receptor
result, output = getstatusoutput(command)
File "C:UsersUserAppDataLocalSchrodingerPyMOL2libsite-packagespmg_tkstartupautodock_plugin.py", line 85, in getstatusoutput
p = Popen(args, stdout=PIPE, stderr=STDOUT, stdin=PIPE, env=env)
File "C:UsersUserAppDataLocalSchrodingerPyMOL2libsubprocess.py", line 800, in __init__
restore_signals, start_new_session)
File "C:UsersUserAppDataLocalSchrodingerPyMOL2libsubprocess.py", line 1207, in _execute_child
startupinfo)
FileNotFoundError: [WinError 2] The system cannot find the file specified

Answer 1

我在Windows上也遇到了同样的问题，请尝试在vmware上运行linux发行版，并确保安装支持Python 2.7的Pymol，因为该脚本与Python3不兼容。