From: Negar Ashari Astani (negarastani_at_gmail.com)
Date: Tue Feb 07 2017 - 04:28:31 CST

Dear all,

I was using Axel's script for density animating, yet I didn't manage to
make it work for two opposite sign isosurface representations (to be used
for spin density).
Would be great if someone can help.

Here is the script I am using:

set updmol [mol new {SPINDEN..64101.cube} type cube waitfor all]

mol addfile {SPINDEN..64101.cube} type cube waitfor all

mol addfile {SPINDEN..64201.cube} type cube waitfor all

mol addfile {SPINDEN..75701.cube} type cube waitfor all

mol delrep 0 top

mol representation CPK 1.000000 0.300000 10.000000 10.000000

mol color Name

mol selection {all}

mol material Opaque

mol addrep top

mol color ColorID 17

mol representation Isosurface -0.001110 0 0 0 1 1

mol selection {all}

mol addrep top

mol color ColorID 7

mol representation Isosurface 0.001110 0 0 0 1 1

mol selection {all}

mol addrep top

# store name of the isosurface representation (id=2) for later use

set updrep [mol repname top 1] #This is green color 7 that updates in updrep

# store name of the isosurface representation (id=3 for later use

set updrep2 [mol repname top 2]

mol rename top {Golden Shot}

proc update_iso {args} {

        global updmol

        global updrep

        global updrep2

# get representation id and return if invalid

    set repid [mol repindex $updmol $updrep]

    if {$repid < 0} { return }

    set repid2 [mol repindex $updmol $updrep2]

    if {$repid2 < 0} { return }

    # update representation but replace the data set

    # id with the current frame number.

    set frame [molinfo $updmol get frame]

    lassign [molinfo $updmol get "{rep $repid}"] rep

    lassign [molinfo $updmol get "{rep $repid2}"] rep2

    mol representation [lreplace $rep 2 2 $frame]

    mol modrep $repid $updmol

    mol representation [lreplace $rep2 2 2 $frame]

    mol modrep $repid2 $updmol

}

Many thanks,

Negar

-- 
Negar Ashari-Astani, PhD
Sharif university of technology,
Department of Physics
Room 519
Tel: (+98)2166164504