VMD-L Mailing List

From: JOSE MANUEL ROMO HERRERA (jmanuel_at_titan.ipicyt.edu.mx)
Date: Tue Nov 08 2005 - 13:19:08 CST

Hello Dan,

        just to comment you a couple of things about the script
color_scale_bar_new.tcl that you edited ...

         Well firstable thanks so much to you and to Wuwei Liang because it is
a very helpful tool.
         The point of my e-mail is because I just added a couple of lines to
the code, I was having some troubles with a multi-FRAMES mol, because the
script was only taking the MIN and MAX values from the last frame on screen.
So I just added an extra cycle (line 93) to search in every frame of each
molecule and at the end it sets an Absolute MAX and MIN which is printed out
(line 108) on the VMD shell. Hopefully this is helpful for you or anyone who
would need it.

          One last thing, I'm having trouble subscribing to VMD-l mailing
list, could you post this new message on the list??

CHANGES:
========
   Version 2.1 color_scale_bar_new2.tcl

      line 76 --> set numframes [molinfo top get numframes]
      line 93 --> for {set i 0} {$i<$numframes} {incr i 1} {
         . molinfo $m set frame $i
         . set minmax [split [mol scaleminmax $m 0]]
         . set aux [molinfo $m get frame]
                        puts "mol $m frame $aux minmax $minmax i $i"
                        if {$min > [lindex $minmax 0]} {
                                set min [lindex $minmax 0]
                        }
         . if {$max < [lindex $minmax 1]} {
         . set max [lindex $minmax 1]
         . }
      line 104 --> }
      line 108 --> puts "Final MinMax --> $min $max" 

--
José Manuel Romo Herrera  (Pepe)
Ph. D. Student
MATERIALES AVANZADOS. (Advanced Materials)
IPICyT   
  http://materials.ipicyt.edu.mx
  http://www.ipicyt.edu.mx