VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 11 2004 - 16:28:44 CDT

Hi,
  I should have a new test Mac build ready by Monday sometime.
I've got it building already, but I have various other things to test
before I build a complete distributions on all the platforms.

  John

On Fri, Jun 11, 2004 at 04:29:15PM -0400, nettles wrote:
> Thank you!!
>
> Matt and I have both been working on this too and had narrowed it down
> to something in the Mac-VMD build, but neither have had the time to go
> through the source. We were going to write you later today.
>
> I will be happy to test the new build with whatever python you have
> linked. ( I would guess 23 at this point) I am really looking forward
> to having this running on my Powerbook, so that I can take it on the
> road. Much appreciation for the powerful and beautiful tools you have
> both given us to display these complex data sets.
>
> With regard,
>
> Jim Nettles
>
>
> On Jun 11, 2004, at 3:33 PM, John Stone wrote:
>
> >
> >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 

-- 
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