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我是 PyMOL 的初学者,我将它用于我的对接项目。我在 PyMOL 中使用 Autodock/Vina 插件时遇到了错误。

我试图对网格进行设置,当我单击允许我更改网格参数 x、y 和 z 的箭头时发生错误 1。

至于错误 2,它发生在我试图在下一页上生成受体时。

在日志部分下,我还收到一条通知说“批处理:prepare_receptor4.py -r C:\Users\User\Desktop\plugin-test\receptor.3ig7.pdb -o C:\Users\User\Desktop\plugin-测试\receptor.3ig7.pdbqt -A checkhydrogen"

如果您能告诉我缺少什么或应该采取哪些措施来解决这些错误,我们将不胜感激。

我期待着阅读您的任何回复,并在此先感谢您,

伊莲

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:\Users\User\AppData\Local\Schrodinger\PyMOL2\lib\site-packages\Pmw.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:\Users\User\AppData\Local\Schrodinger\PyMOL2\lib\site-packages\Pmw.py", line 1823, in __call__
    return self.func(*args)
  File "C:\Users\User\AppData\Local\Schrodinger\PyMOL2\lib\site-packages\pmg_tk\startup\autodock_plugin.py", line 1940, in generate_receptor
    result, output = getstatusoutput(command)
  File "C:\Users\User\AppData\Local\Schrodinger\PyMOL2\lib\site-packages\pmg_tk\startup\autodock_plugin.py", line 85, in getstatusoutput
    p = Popen(args, stdout=PIPE, stderr=STDOUT, stdin=PIPE, env=env)
  File "C:\Users\User\AppData\Local\Schrodinger\PyMOL2\lib\subprocess.py", line 800, in __init__
    restore_signals, start_new_session)
  File "C:\Users\User\AppData\Local\Schrodinger\PyMOL2\lib\subprocess.py", line 1207, in _execute_child
    startupinfo)
FileNotFoundError: [WinError 2] The system cannot find the file specified
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1 回答 1

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I'm also encountering the same issue on Windows, try running a linux distro on vmware and make sure to install Pymol with support for Python 2.7 because the script is not compatible with Python3.

于 2021-01-01T12:18:07.843 回答