VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Feb 13 2010 - 01:32:37 CST

Hi,
  Your transformation matrix was way off, you need to preserve
the identity elements on the diagonal:
  set M {{1 0 0 0} {0 1 0 0} {0 0 -1 0} {0 0 0 1}}

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Sat, Feb 13, 2010 at 02:24:58AM -0500, Rachel Ruskin wrote:
> Dear VMD users,
>
> I would like to reflect my protein across the xy plane.
> What I tried:
> set M {{0 0 0 0} {0 0 0 0} {0 0 -1 0} {0 0 0 1}}
> set sel [atomselect top "all"]
> $sel move $M
>
> When this command is applied, instead of ending up in a nicely
> reflected protein all of the atoms coalesce into a single line.
>
> Is my transformation matrix off (quite possible), or am I applying it
> incorrectly (also quite possible)?
>
> Thanks for your help,
>
> Rachel Ruskin 

-- 
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
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