VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Aug 24 2004 - 12:44:43 CDT

Axel,
  Thanks for this, I now see the problem you're having. This looks
very similar to Keith's problem, as he just sent me the data and images
to compare with, and I agree that there does seem to be something wrong.

I'll let you know when I've figured out what is going on here.
There must be a mistake in the code that generates transformations
for the periodic cell images, I'll know for sure after I have a chance
to dig into this a bit.

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Aug 24, 2004 at 06:07:18PM +0200, Axel Kohlmeyer wrote:
> On Tue, 24 Aug 2004, John Stone wrote:
>
> john,
>
> please have a look at the attached image.
>
> the y-replica row in the top part is obviously
> off by half a unit cell length in that direction.
>
> this is the same with vmd 1.8.2 and the latest cvs version.
>
> i'll send you the vmd input and the (large-ish) cube file
> from which this was created in a separate mail.
>
> axel.
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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