Hello, I'm fairly new to Jmol and have been tinkering with methods of inserting isosurfaces into protein space. I've been looking into the documentation for the functionXY and functionXYZ isosurface options and was wondering how to accomplish a couple things:
functionXYZ: What sort of data should I fill in the returned array with? (the fxyz[ni][nj][nk]) Is it a potential map of sorts? What is it? functionXY: I messed around with mainly the ni, nj, and nk arguments, and the maximum values passed in for each argument is an 11. Is there a way to increase the grid space that the function is graphed over, or is this the maximum distance? This is the documentation I've been going off of: http://chemapps.stolaf.edu/jmol/docs/#isosurface If there's a better source let me know. I would appreciate any suggestions, Nick Smith
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