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pymol snippts for pretty pictures of large set of molecules
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files=("$@") | |
reverse() { | |
# first argument is the array to reverse | |
# second is the output array | |
declare -n arr="$1" rev="$2" | |
for i in "${arr[@]}" | |
do | |
rev=("$i" "${rev[@]}") | |
done | |
} | |
reverse files rfiles | |
batch=50 | |
convert -delay 3 -loop 0 ${files[@]} animated.test.gif | |
convert -delay 5 -loop 0 ${rfiles[0]} animated.wait.gif | |
convert -delay 3 -loop 0 ${rfiles[@]} animated.test2.gif | |
convert animated.test.gif animated.wait.gif animated.test2.gif test.gif | |
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mset 1 x360 | |
util.mroll(1,360,2) | |
set ray_trace_frames=1 | |
set cache_frames=0 | |
mclear | |
mpng mov |
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viewport 1024, 768 | |
set ray_trace_gain, 0.1; | |
set ray_shadow_decay_factor, 0.1; | |
set ray_shadow_decay_range, 2; | |
set antialias, 2; | |
set reflect,0.5; | |
set light_count,20; | |
set spec_count,1; | |
set shininess, 100; | |
set specular, 1; | |
set direct,0; | |
set reflect,1.5; |
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# https://combichem.blogspot.com/2013/12/beautiful-rendereing-of-small-molecules.html | |
load my_molecule.xyz | |
bg_color white | |
color grey50, elem c | |
preset.ball_and_stick(selection='all', mode=1) | |
set ray_trace_mode, 0 | |
ray |
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