Hi,
I have a jmol script in which I want to set a value from [0, 1] for every
atom, to be used exclusively for atom coloring. I know which value is
assigned to each atom (obviously) and decided to store the values as
'partialCharge' and then color by that, since I don't think it is used for
anything else. However when there are thousands of atoms, this can be quite
slow - several seconds - to execute the several thousand
{[ALA]32:A.N}.partialCharge=0.95; type commands.
My question is, is there a better way to do this? Would it be any faster to
load them into an array and set them all at once somehow? Which scripting
commands would I use and how would I map the values to the atoms they belong
to in this case?
If any more details are required let me know. Hope someone can advise.
Regards,
Howard
--
------------------------------
Howard Feldman
Research Scientist
Chemical Computing Group Inc.
T.(514)393-1055 x144 | F.(514)874-9538
[email protected] | www.chemcomp.com
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