set isoval 0.02
axes location Off
set fileidx 0
for {set i 10} {$i<=500} {incr i 10} {
set name wfn[format %06d $i]
puts "Processing $name.cub..."
mol new C:/cub/$name.cub
mol modstyle 0 top DynamicBonds 1.600000 0.080000 12.000000
mol addrep top
mol modstyle 1 top Isosurface $isoval 0 0 0 1 1
mol modcolor 1 top ColorID 12
mol modmaterial 1 top Glossy
mol addrep top
mol modstyle 2 top Isosurface -$isoval 0 0 0 1 1
mol modcolor 2 top ColorID 22
mol modmaterial 2 top Glossy
mol addrep top
mol modstyle 3 top VDW 0.150000 12.000000
display distance -8.0
color Display Background white
scale to 0.12
light 3 on
color Name C tan
color change rgb tan 0.700000 0.560000 0.360000
material change mirror Opaque 0.15
material change outline Opaque 4.000000
material change outlinewidth Opaque 0.5
material change ambient Glossy 0.1
material change diffuse Glossy 0.600000
material change opacity Glossy 0.5
material change shininess Glossy 1.0
display resize 600 600
render snapshot [format "%05d" $fileidx].bmp
incr fileidx
mol delete top
}
¾Ã¾Ã¾«Æ·¹ú²ú99¾Ã¾ÃÏã½¶