From: Birgitte Maria Elisabeth Brydsoe (bbrydsoe_at_hpc2n.umu.se)
Date: Fri Sep 24 2010 - 09:13:43 CDT

I am trying to get IED 2.02 to run under VMD, but have some problems. I
have:

1) CentOS 5.5, 64 bit
2) Downloaded binary VMD 1.8.7 for LINUX_64 OpenGL
3) Downloaded Python libraries matching VMD 1.8.7 from
http://www.ks.uiuc.edu/Research/vmd/plugins/pythonlib/
4) Downloaded IED from http://mccammon.ucsd.edu/ied/ied-2.02.tgz

I have VMD and the Python libraries installed and have done

export PYTHONHOME=path_to/lib_LINUXAMD64
export PYTHONPATH=path_to/lib_LINUXAMD64/lib/python2.5

and added path_to/lib_LINUXAMD64/bin to my path.

When I start up vmd I get:

VMD Main window
VMD OpenGL Display window
no VMD Console window, but I can write in the terminal I started vmd from.

No errors or complaints yet. However, when I do 'gopython':

vmd > gopython
Info) Starting Python...
Info) Text interpreter now Python
Traceback (most recent call last):
   File "<string>", line 1, in <module>
   File
"/home/b/bbrydsoe/pfs/vmd_new/vmd/lib/vmd/scripts/python/Tkinter.py", line
59, in <module>
     import _tkinter # If this fails your Python may not be configured for
Tk
ImportError: No module named _tkinter
>>>

I can import numpy and vmdnumpy afterwards with no errors, but if I try to
start IED:

vmd > gopython ied.py
Info) Text interpreter now Python
Traceback (most recent call last):
   File "VMD", line 21, in <module>
   File
"/home/b/bbrydsoe/pfs/vmd_new/vmd/lib/vmd/scripts/python/Tkinter.py", line
59, in <module>
     import _tkinter # If this fails your Python may not be configured for
Tk
ImportError: No module named _tkinter
Info) Text interpreter now Tcl
vmd >

So python libraries are built without tkinter? I found an older discussion
here on the mailinglist

(starts with
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/14810.html).

Have a version of python libraries been built that is configured for
tkinter?

Thank you,

Birgitte Brydso