Hi,
coloring a certain residue in an object takes about 4 ms when only one
object is loaded in PyMol:
%time cmd.color("blue", "obj1of1 and resi 1")
CPU times: user 3.33 ms, sys: 0 ns, total: 3.33 ms
Wall time: 4.13 ms
Performing the same operation when a lot of other objects (~300) are
loaded results in a highly increased execution time:
%time cmd.color("blue", "obj1of300 and resi 1")
CPU times: user 243 ms, sys: 0 ns, total: 243 ms
Wall time: 234 ms
This is 60-fold increment compared to a PyMol Session with only one
object loaded. All structures in this example have ~240 residues.
Consequently, coloring each residue of 300 objects in an individual
color would take more then 4.5 hours on my machine. Of course this use
case is pretty unlikely.
In my case I only have limited number of colors (255 colors gradient)
which each residue could obtain. So I'm thinking about executing
cmd.color for each color (255 times), which should be faster. However
I'd still prefer to apply cmd.color per residue, so I don't have to
define bulky selections per color.
Is there some way to accomplish this in a reasonable amount of time?
Thanks!
Best,
Leonhard
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