Created
April 16, 2016 08:45
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Jmol script for the computational chemistry movie
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cd /Applications/jmol-11.7.26/models/ | |
background white | |
frank off | |
hide all | |
delay 2 | |
display atomno=8; delay 2 | |
display atomno=8,atomno=4; delay 2 | |
display atomno=8,atomno=4,atomno=2; delay 1 | |
display atomno=8,atomno=4,atomno=2; delay 1 | |
display atomno=8,atomno=4,atomno=2,atomno=1; delay 1 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13; delay 1 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13,atomno=10; delay 3 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13,atomno=10,atomno=12; delay 0.5 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13,atomno=10,atomno=12,atomno=24; delay 0.5 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13,atomno=10,atomno=12,atomno=24,atomno=23; delay 0.5 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13,atomno=10,atomno=12,atomno=24,atomno=23,atomno=25; delay 1 | |
display atomno=8,atomno=4,atomno=2,atomno=1,atomno=13,atomno=10,atomno=12,atomno=24,atomno=23,atomno=25,atomno=15,atomno=16; delay 2 | |
display all;delay 1 | |
spin x 90 | |
delay 4 | |
spin off | |
#goto _start | |
isosurface resolution 6 SOLVENT | |
delay 2 | |
spin y 90 | |
delay 4 | |
spin off | |
delay 2 | |
isosurface resolution 6 SOLVENT map MEP | |
delay 5 | |
spin x 90 | |
delay 4 | |
spin off | |
delay 5 | |
load frame100.log | |
mo cutoff 0.045 | |
mo fill nomesh | |
MO titleFormat "" | |
mo 46 | |
delay 5 | |
mo 47 | |
delay 5 | |
message _start | |
frame 1.52 | |
vibration 1 | |
vibration scale 1 | |
delay 5 | |
vibration 0.1 | |
vibration scale 1.5 | |
delay 5 | |
load regioDA.xyz | |
frame play 1.75 | |
animation direction - 1 | |
animation fps 50 | |
animation on | |
delay 5 | |
animation fps 10 | |
frame playrev | |
delay 10 | |
frame 1.100 1.59 | |
frame playrev | |
delay 5 | |
moveto 1.0 { 974 -222 52 42.96} 151.45 0.0 0.0 {-0.15659988 -0.23255014 0.20139992} 5.5505934 {0.0 0.0 0.0} 2.185909 -5.445272 0.0; | |
measure (c10/59) (c13/59) | |
spin y | |
delay 5 | |
spin off | |
measure off | |
moveto 10.0 { 656 676 337 24.3} 1588.26 -22.25 22.96 {-0.15659988 -0.23255014 0.20139992} 5.5505934 {0.0 0.0 0.0} -13.455098 -29.810713 0.0; | |
delay 5 | |
load diffgear.pdb | |
zoom 5.0 | |
delay 5 | |
moveto 1.0 {0 0 1 0} 50.0 0.0 0.0 {6.0690002 5.762001 -27.2975} 34.414436 {0.0 0.0 0.0} -4.6623707 5.818512 0.0; | |
delay 2 | |
moveto 1.0 { 1000 27 8 91.02} 50.0 0.0 0.0 {6.0690002 5.762001 -27.2975} 34.414436 {0.0 0.0 0.0} -3.726368 25.769527 0.0; | |
delay 2 | |
moveto 10.0 { 986 -111 -128 91.98} 692.02 0.0 0.0 {6.0690002 5.762001 -27.2975} 34.414436 {0.0 0.0 0.0} -107.167595 279.06686 0.0; | |
delay 5 | |
moveto 5.0 { 948 -218 -232 94.33} 10489.06 28.23 -14.78 {6.0690002 5.762001 -27.2975} 34.414436 {0.0 0.0 0.0} -711.6929 1153.7278 0.0; |
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