VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jan 17 2006 - 10:06:26 CST

James,
  Are you running VMD 1.8.3 on that machine? If so, then you'll find
that VMD 1.8.4 does a MUCH better job with loading huge numbers of molecules.
(It was during the early phase of developing VMD 1.8.4 that I loaded 30K
 molecules at once, and I had to rewrite a bunch of code to make the load
 time acceptable)
I still have a few things that need tuning in this area of VMD but the
beta versions of VMD 1.8.4 are already substantially faster at this than
VMD 1.8.3 was.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jan 17, 2006 at 07:55:22AM -0800, James Rustad wrote:
> Axel,
>
> >JR> vmd > for {set i 244} {$i < 2501} {incr i} {mol new [format "%
> >JR> 04d.xyz" $i] }:
> >please try inserting a 'waitfor all' into the 'mol new' part.
>
>
> Thanks, the "waitfor all" did the trick.
>
> I wonder if there is a way to avoid the very slow loading as
> you get above 800 new molecules? (my molecules are about 30 atoms each)
>
> Jim 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078