[Chimera-users] [EXTERNAL] Re: MOLE 2.5 plugin

[Reza Khayat]

?Thanks Eric.


Reza


Reza Khayat, PhD
Associate Professor
City College of New York
Department of Chemistry and Biochemistry
New York, NY 10031
________________________________
From: Eric Pettersen <pett at cgl.ucsf.edu>
Sent: Tuesday, October 13, 2020 12:34 PM
To: Reza Khayat
Cc: chimera-users at cgl.ucsf.edu
Subject: [EXTERNAL] Re: [Chimera-users] MOLE 2.5 plugin

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

Eric Pettersen
UCSF Computer Graphics Lab


On Oct 13, 2020, at 9:25 AM, Reza Khayat <rkhayat at ccny.cuny.edu<mailto: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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