# Version:         $Id: my_functions 931 2006-08-23 23:25:35Z sobolevnrm $

proc add_contour {molNum value color} {
#
# This procedure adds an isocontour to molecule <molNum>
# with the value <value> and colors it with colorId <color>
#
	set repnum [molinfo $molNum  get numreps]
	mol color colorid $color
	mol material Transparent
	mol addrep $molNum
	mol selection all
	mol modstyle $repnum $molNum Isosurface $value 0.0 0.0 0.0
}

proc load_pot {} {
    mol new dna.pqr type pdb
    mol modstyle 0 0 vdw
    rock x by 2
    display update

    mol addfile pot.dx
    add_contour 0 -2.5 1

}

proc load_qdens {} {
    mol new dna.pqr type pdb
    mol modstyle 0 0 vdw
    rock x by 2
    display update

    mol addfile qdens.dx
    add_contour 0 2.000 1
    add_contour 0 1.000 3
    add_contour 0 0.500 4
    add_contour 0 0.250 7
    add_contour 0 0.125 0

    display eyesep       0.065000
    display focallength  2.000000
    display height       6.000000 display distance     -2.000000
    display projection   Orthographic
    display nearclip set 0.500000
    display farclip  set 10.000000
    display depthcue   off
    display cuestart   0.500000
    display cueend     10.000000
    display cuedensity 0.400000
    display cuemode    Exp2
    display update

}
