VMD-L Mailing List

From: Shatadal Ghosh (shatadal_ghosh_at_hotmail.com)
Date: Tue Mar 22 2005 - 00:22:05 CST

Hi All,

I am using VMD 1.8.3 on Red Hat Enterprise Linux. I was interested in
running IED. To do so I downloaded Numeric Python 23.8 from the sourceforge
site and installed it to ~/numpy. I have python 2.2.3 installed locally. I
have also set the environment variable
PYTHONPATH=~/numpy/lib/python2.2/site-packages/Numeric/. ">>> import
Numeric" gives me no error implying python can find Numeric. However I get
the following error

****************************************************************************
vmd > gopython /usr/local/lib/vmd/plugins/noarch/python/ied/ied.py
Info) Starting Python...
'import site' failed; use -v for traceback
Could not find Numeric Python version 22.0.
Info) Text interpreter now Python
Traceback (most recent call last):
  File "VMD", line 19, in ?
ImportError: No module named vmdnumpy
Info) Text interpreter now Tcl
Traceback (most recent call last):
  File "<string>", line 1, in ?
  File "/usr/local/lib/vmd/scripts/python/Tkinter.py", line 59, in ?
    import _tkinter # If this fails your Python may not be configured for Tk
ImportError: No module named _tkinter
*****************************************************************************

The Tkinter manual says that "You don't need to download Tkinter - it's an
integral part of all Python distributions" and I have Tkinter at
/usr/local/lib/vmd/scripts/python/

The following gives no error

****************************************
vmd > gopython
Info) Text interpreter now Python
>>>import Numeric
>>>
****************************************
However the following gives me another error

******************************************************************************
>>>import ied.py
Traceback (most recent call last):
  File "VMD", line 1, in ?
  File "/usr/local/lib/vmd/plugins/noarch/python/ied/ied.py", line 19, in ?
    import molecule,vmdcallbacks,vmdnumpy,trans,animate,graphics
ImportError: No module named vmdnumpy
>>>
*******************************************************************************

The manual says that this about vmdnumpy "This optional module is made
available from within the toplevel VMD module if VMD detects a Numeric
Python installation in the Python search path."

What am I doing wrong and what do I need to do to make IED work?

Thanks,
Shatadal.

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