VMD-L Mailing List

From: Cesar Millan (pachequin_at_gmail.com)
Date: Tue Oct 03 2006 - 14:02:41 CDT

Hi everyone, I trying to move a coordinates and save the changes on a new
file but when I look on the new coordinates, the coordinate values are the
same :S, here is what I'm doing:

###
animate read pdb lig1.pdb

proc moveby {sel offset} {
   foreach coord [$sel get {x y z}] {
   lappend newcoords [vecadd $coord $offset]
   }
 $sel set {x y z} $newcoords
}

set sel [atomselect top "all"]

set v 1
while { $v <= 5 } {
moveby $sel "5 0 0"
set $sel [atomselect top "all"]
$sel writepdb lig1_${v}.pdb
rotate z by 45
moveby $sel "-5 0 0"
incr v
}

when I watch the coordinates on lig1_*.pdb, they are the same as the
original, does anyone know what happend?

thank you so much. 

-- 
César Millán Pacheco
Facultad de Ciencias
Universidad Autonoma del Estado de Morelos
Tel: 777 3297020
Fax: 777 3207040
email: cmp_at_servm.fc.uaem.mx
          pachequin_at_gmail.com