VMD-L Mailing List

From: Justin Gullingsrud (justinrocks_at_gmail.com)
Date: Wed Oct 13 2004 - 13:29:24 CDT

Hi,

Sadly, due to some legacy idiosyncracies in the molinfo command, you
have to embed the matrix in another list in order for this to work.
You also need to use "rotate_matrix" instead of "rotation_matrix". A
working example is:

  molinfo top set rotate_matrix [list [trans offset {1 1 1}]]

Cheers,
Justin

On Wed, 13 Oct 2004 17:39:48 +0200, CHAUMONT Alain
<chaumont_at_chimie.u-strasbg.fr> wrote:
> Hello everyone,
> I have a cation in a solvent box and I want to center the view on the cation.
> So I extract the coordinates of the cation by :
>
> set sel [atomselect 0 "resid 0" frame now]
> $sel get {x y z}
>
> Than I wanted to change the rotation and centering matrix by
>
> molinfo 0 set {rotation_matrix} [ trans offset {25.7099990845 35.2620010376
> 45.8370018005}]
>
> while doing this an error appears on the screen saying:
>
> molinfo: set: argument and value lists have different sizes
>
> Well as the command trans offset {25.7099990845 35.2620010376 45.8370018005}
> gives a 4x4 matrix I don't understand the problem.
>
> Could anyone help me here?
>
> Thanks a lot....
>
>
> CHAUMONT Alain
> Laboratoire M.S.M.
> ULP Strasbourg
> France
> 

-- 
The spirit of Plato dies hard.  We have been unable to escape the
philosophical tradition that what we can see and measure in the world
is merely the superficial and imperfect representation of an
underlying reality.
                -- S.J. Gould, "The Mismeasure of Man"