VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 11 2004 - 14:33:34 CDT

Hi,
  I did a little digging and the two causes of this problem are:
1) The MacOS X versions of VMD haven't had the NUMPY flag enabled in
   their builds yet.
2) Its possible that you've got mismatched versions of python libraries,
   but given the subsequent tests you did for me I think that the remaining
   issues are likely caused by 1).

I'm doing new Mac builds today that have the NUMPY build option enabled,
and if all goes well I may have a test version of VMD 1.8.3 for you to try
out with John Mongan's IED 2.0.

As it turns out the Mac was the only platform not compiled with the
NUMPY flag. In some old version of Python/MacOS X we had problems of
some sort which is the reason, but I think they were resolved with
more recent revs of Python and VMD so we'll try turning it on and see
if IED is happy with a new build. I'll let you guys know when I've
got a new Mac build for you to try with IED 2.0.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jun 03, 2004 at 07:02:19PM -0400, nettles wrote:
> Hello all,
>
> We have been playing back some essential dynamics trajectories on our
> Linux box at the lab in VMD using the nice piece of code written by
> John Mongan. http://mccammon.ucsd.edu/ied/
>
> I'm running into a problem on my Mac running OSX 10.3.4 and VMD 1.8.2.
>
> This is the error.
>
> vmd > gopython /Users/nettles/Data/EssDyn/ied-2.0/ied.py
> 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
> vmd >
>
>
> I have Python and NumPy installed via Fink. Any clues?
>
>
> Thanks,
>
>
> Jim Nettles 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078