ADL: Can´t choose ligand in autodocktools

Muzaffar Rehman m.muzaffar687 at gmail.com
Mon Apr 13 01:29:06 PDT 2020


Check the folder name which has ligand, protein and the exe files for
spaces. If the folder names has space, *For example: "New folder", then *rename
it to: *"NewFolder"*

Then perform the docking from the beginning. You wont get such error.

On Mon, 13 Apr 2020 at 12:56, Leo Juhlin <leojuhlin at gmail.com> wrote:

> Whenever I use autodocktools and go to "grid--->set map types----> choose
> ligand and select u´ligand´ I get the error message:
> "Exception in Tkinter callback
> Traceback (most recent call last):
>   File "C:\Program Files (x86)\MGLTools-1.5.6\lib\lib-tk\Tkinter.py", line
> 1403, in __call__
>     return self.func(*args)
>   File "C:\Program Files
> (x86)\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autogpfCommands.py",
> line 4618, in chooseLigand_cb
>     mol = self.chooser.getMolSet()
>   File "C:\Program Files
> (x86)\MGLTools-1.5.6\lib\site-packages\Pmv\guiTools.py", line 178, in
> getMolSet
>     if self.mode=='single': return mols[0]
>   File "C:\Program Files (x86)\MGLTools-1.5.6\lib\UserList.py", line 28, in
> __getitem__
>     def __getitem__(self, i): return self.data[i]
> IndexError: list index out of range"
>
> Can someone please help me fix this?
>
> Best regards, Leo
> ________________________________________________
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