From: Kristina Woods (
Date: Tue Aug 30 2005 - 19:38:30 CDT

Hi there,

I wrote a message to the list last week about having problems running python
in vmd 1.8.3 (LINUX)...and was wondering if anyone could possibly help?

Initially, I tried installing the pre-built python libraries (Python 2.2 and
Numeric Python 22.0) to get the IED plugin in VMD to work. Unfortunately, I
got the same EXACT error as a previous poster on the list ( where it
also found a strange Tk header file (8.3).

I then tried to compile VMD with the correct version of python (2.2) and
numeric python (22.0) in my home directory and tried to get the IED plugin
to work again. Here is the error message that I got:
vmd > gopython
Info) Text interpreter now Python

Interactive Essential Dynamics v 2.0 (
Copyright John Mongan <>, 2003, 2004

Citation: Interactive Essential Dynamics. John Mongan. Journal of
Computer-Aided Molecular Design. In press.

This program is provided under the GPL with ABSOLUTELY NO WARRANTY.

Traceback (most recent call last):
File "VMD", line 549, in ?
File "VMD", line 546, in tkmenu
File "VMD", line 336, in __init__
File "VMD", line 339, in launchGUI
File "/usr0/user/kwoods/lib/python2.2/lib-tk/", line 1521, in
raise RuntimeError, \
RuntimeError: tk.h version (8.0) doesn't match libtk.a version (8.4)
Info) Text interpreter now Tcl
vmd >


Again, I have no idea where a Tk header file of version 8.0 is being found.
I have tried setting the PYTHONHOME and PYTHONPATH variables as well as the
LD_LIBRARY_PATH in my path so that the correct version of the header file
could be found (8.4.)...but it doesn't seem to work. Has anyone else
experienced this problem? Does anyone know how I can fix it? Any ideas would
be greatly appreciated.