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rashba-1pocket.tcl
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rashba-1pocket.tcl
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source "approx-ellipsoid.tcl"
draw color white
draw text {0.0 0.0 0.0} G
draw text {0.5 0.5 0.5} R
draw text {0.5 0.5 0.0} M
draw text {0.5 0.0 0.0} X
graphics $mol color red
approx_ellipsoid $mol 2 {0.015000 0.015000 0.015000} {0.500000 0.500000 0.500000} {1.000000 0.000000 0.000000 0.000000}
graphics $mol color green
approx_ellipsoid $mol 2 {0.124947 0.015308 0.012842} {0.479585 0.501290 0.545208} {1.000000 0.000000 0.000000 0.000000}
approx_ellipsoid $mol 2 {0.124947 0.015308 0.012842} {0.523572 0.501291 0.457950} {1.000000 0.000000 0.000000 0.000000}
graphics $mol color blue
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.474289 0.456086 0.541197} {1.000000 0.000000 0.000000 0.000000}
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.474289 0.546495 0.541197} {1.000000 0.000000 0.000000 0.000000}
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.528867 0.546482 0.461980} {1.000000 0.000000 0.000000 0.000000}
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.528867 0.456098 0.461979} {1.000000 0.000000 0.000000 0.000000}
draw color white
draw cylinder {0.000000 0.000000 0.000000} {0.500000 0.500000 0.500000} radius 0.0025
draw cylinder {0.000000 0.000000 0.000000} {0.500000 0.000000 0.000000} radius 0.0025
draw cylinder {0.000000 0.000000 0.000000} {0.500000 0.500000 0.000000} radius 0.0025
draw cylinder {0.500000 0.500000 0.500000} {0.500000 0.000000 0.000000} radius 0.0025
draw cylinder {0.500000 0.500000 0.500000} {0.500000 0.500000 0.000000} radius 0.0025
draw cylinder {0.500000 0.000000 0.000000} {0.500000 0.500000 0.000000} radius 0.0025
# Try a rotation with a quartenrion
graphics $mol color pink
approx_ellipsoid $mol 2 {0.124947 0.015308 0.012842} {0.479585 0.501290 0.545208} {0.650115 0.537282 0.000006 -0.537288}
approx_ellipsoid $mol 2 {0.124947 0.015308 0.012842} {0.523572 0.501291 0.457950} {0.650115 0.537282 0.000006 -0.537288}
graphics $mol color yellow
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.474289 0.456086 0.541197} {0.717447 -0.542841 0.124356 0.418484}
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.474289 0.546495 0.541197} {0.717447 -0.542841 0.124356 0.418484}
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.528867 0.546482 0.461980} {0.717447 -0.542841 0.124356 0.418484}
approx_ellipsoid $mol 2 {0.058272 0.028983 0.019101} {0.528867 0.456098 0.461979} {0.717447 -0.542841 0.124356 0.418484}