I'm working to automate making movies from 10,000 frame trajectories. Currently, my cxc contains the following commands
windowsize 1920 1080
set bgColor white
view zalign ligand inFrontOf #1
sel protein
surface; surface color salmon; transparency protein 60 target s
sel :UNL
color sel dark slate gray; color sel byhetero
sel :SIA
color sel dim gray; color sel byhetero
sel :UNL
hbonds :UNL reveal true
surface zone #1 nearAtoms ligand distance 15
select zone ligand 15; select add ligand
select ~sel
~cartoon sel
delete sel
~sel
view ligand
movie record supersample 4
perframe "~label; label hbondatoms" ; coordset #1 1,10000,50; wait 200; ~perframe
movie encode output hbond.mp4 bitrate 6000 framerate 4
The above takes ~ 30 mins, and it's something I would like to do for whole libraries I'm screening. I think the longest process is "hbonds :UNL reveal true" while second longest is movie record and perframe. Is there a way to speed this up? Is there a way to
take advantage of multi-threading if it isn't already enabled? If multi-threading is already being used, what can I change to be more efficient?
I deleted the parts that I didn't need "delete sel" since they're not involved in the binding site, and I thought it would help speed up surface calculations while recording.