[Chimera-users] MOLE 2.5 plugin

Eric Pettersen pett at cgl.ucsf.edu
Tue Oct 13 09:34:50 PDT 2020

Hi Reza,
	MOLE is trying to write its settings file in the "current directory", which if you started Chimera by clicking its icon is probably some system directory that you don't have write permission for.  So the trick is to change the current directory to something that you do have write permission for before you start MOLE.  You can do this with the "cd" command (Favorites→Command Line).  Specifically just typing "cd" will change the current directory to your home directory, and will allow MOLE to write its settings file.


	Eric Pettersen
	UCSF Computer Graphics Lab

> On Oct 13, 2020, at 9:25 AM, Reza Khayat <rkhayat at ccny.cuny.edu> wrote:
> Hi,
> I'm receiving the following error when launching the MOLE 2.5 plugin from Chimera.  The plugin was installed as suggested by the developers:
> Favorites -> Preferences -> Add -> Select directory
> The plugin's icon appears in my tool bar. However, launching it generates the following error in the Reply Log.
> Traceback (most recent call last):
>   File "C:\Program Files\Chimera 1.13.1rc\share\chimera\toolbar.py", line 26, in _guard
>     func()
>   File "C:\Mole2_ui\MOLE2_5\MainWindow.py", line 954, in <lambda>
>     icon, lambda d=chimera.dialogs.display, n=MainWindow.name: d(n), 'MOLE 2.5', None)
>   File "C:\Program Files\Chimera 1.13.1rc\share\chimera\dialogs.py", line 76, in display
>     dialog = find(name, create=1)
>   File "C:\Program Files\Chimera 1.13.1rc\share\chimera\dialogs.py", line 61, in find
>     return d()
>   File "C:\Mole2_ui\MOLE2_5\MainWindow.py", line 353, in __init__
>     with open(CONFIGFILE, 'w') as f:
> IOError: [Errno 13] Permission denied: '.MOLE_PluginSettings.txt'
> Error in toolbar callback:
> IOError: [Errno 13] Permission denied: '.MOLE_PluginSettings.txt'
>   File "C:\Mole2_ui\MOLE2_5\MainWindow.py", line 353, in __init__
>     with open(CONFIGFILE, 'w') as f:
> See reply log for Python traceback.​
> Any help is appreciated. 
> Best wishes,
> Reza Khayat, PhD
> Associate Professor 
> City College of New York
> Department of Chemistry and Biochemistry
> New York, NY 10031
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