VMD-L Mailing List

From: sajad falsafi (sajad.falsafi_at_yahoo.com)
Date: Thu Nov 24 2011 - 06:51:44 CST

Hi,

this process can't get the atomic coordinates ({x y z}). maybe you didn't use the proper selection.

Best of luck,
Sajad Falsafi
Dept. of Genetics, Shahid Chamran University of Ahvaz
Toxicology Research Center, Jondi-Shapour University of Medical Sciences

--- On Thu, 11/24/11, Andrés Morales <h.andres.m1986_at_gmail.com> wrote:

> From: Andrés Morales <h.andres.m1986_at_gmail.com>
> Subject: vmd-l: Change coordinates
> To: vmd-l_at_ks.uiuc.edu
> Date: Thursday, November 24, 2011, 11:44 AM
> Dear VMD users:
> I am trying to to replace  the coordinates of a
> selections with other coordinates I calculated before.  The
> new coordinates were calculated using an specific matrix I
> defined before.
> I am using the following protocol:
> proc change {sel M} {
>  
>  foreach atom [$sel get index] {
>   set pos [lindex [[atomselect top "index
> $atom"] get {x y z}] 0]
>   lvarpush newpos [coordtrans [transtranspose $M] $pos]
>  }
>  $sel set $newpos
>
>  }
>
> When I use this protocol with somethin like : change $sel
> $A,
> I get the mistake: can't read "x": no
> such variable
>  
> Does anybody know how can I solve it?
> Any suggestions?
>  
> Thanks
>
>  
> Andres
>  
>