53 lines
1.5 KiB
Plaintext
53 lines
1.5 KiB
Plaintext
#!/usr/local/bin/vmd
|
|
set viewplist {}
|
|
set fixedlist {}
|
|
|
|
# Display settings
|
|
display eyesep 0.065000
|
|
display focallength 2.000000
|
|
display height 6.000000
|
|
display distance -2.000000
|
|
display projection Orthographic
|
|
display nearclip set 0.000100
|
|
display farclip set 10.000000
|
|
display depthcue on
|
|
display cuestart 0.500000
|
|
display cueend 10.000000
|
|
display cuedensity 0.400000
|
|
display cuemode Exp2
|
|
|
|
package require topotools
|
|
set thismol [topo readvarxyz sputter.xyz]
|
|
pbc set {33.592 33.592 67.1838 90.0 90.0 90.0} -all
|
|
pbc box
|
|
|
|
graphics 0 material Transparent
|
|
graphics 0 color white
|
|
graphics 0 sphere {16.796 16.796 69.00} radius 16.796
|
|
|
|
mol delrep 0 top
|
|
mol representation Points 10.000000
|
|
mol color Name
|
|
mol selection {(all) and user > 0}
|
|
mol material Opaque
|
|
mol addrep top
|
|
mol selupdate 0 top 1
|
|
set viewpoints([molinfo top]) {{{1 0 0 -8.21226} {0 1 0 -8.41433} {0 0 1 -4.82487} {0 0 0 1}} {{0.943765 -0.330613 -0.00163335 0} {0.0501411 0.138246 0.989128 0} {-0.326792 -0.933587 0.14705 0} {0 0 0 1}} {{0.0368523 0 0 0} {0 0.0368523 0 0} {0 0 0.0368523 0} {0 0 0 1}} {{1 0 0 0.02} {0 1 0 -0.88} {0 0 1 0} {0 0 0 1}}}
|
|
lappend viewplist [molinfo top]
|
|
set topmol [molinfo top]
|
|
# done with molecule 0
|
|
foreach v $viewplist {
|
|
molinfo $v set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpoints($v)
|
|
}
|
|
foreach v $fixedlist {
|
|
molinfo $v set fixed 1
|
|
}
|
|
unset viewplist
|
|
unset fixedlist
|
|
mol top $topmol
|
|
unset topmol
|
|
|
|
animate goto 0
|
|
animate speed 0.7
|
|
animate forward
|