ADL: Pyinstaller

Sargis Dallakyan sargis at
Thu Oct 4 16:22:19 PDT 2007

Jack Shultz wrote:
> Hello AutoDock users. I sent an email recently talking about py2exe. This is
> a great package for porting the AutoDock Tools python scripts to windows.
> Only encumbered by the need to distribute a directory of files. For my
> project I am trying to distribute these scripts to a diverse set of clients
> through BOINC. So I want to distribute binaries to other platforms. I
> sucessfully used a tool called pyinstaller to convert all the necessary
> scripts to stand alone exe files which decompress all the dependencies into
> a temporary directory. So I tried following the directions for Linux and got
> this familiar error which you get when you try running scripts with python
> instead of pythonsh
> Traceback (most recent call last):
>   File "<string>", line 9, in ?
>   File "/root/pyinstaller-1.3/", line 334, in importHook
>     raise ImportError, "No module named %s" % fqname
> ImportError: No module named MolKit
> So I have run into errors trying to use pythonsh to build Linux binaries.
> Has anyone tried this? Does anyone have suggestions? Perhaps I need to
> figure out how to get set the paths with he pythoninstaller scripts?

You might need to tell pyinstaller to include MolKit directory in the path (i.e. 
--path option for

Have you tried cx_Freeze - I find it 
easier to use and more robust. I've just created prepare_ligand4 binary on Linux 
with cx_Freeze and it worked.


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