[chimerax-users] using atomic coordinates to measure volume
Harrison, Daniel P
harrisondp at vmi.edu
Sun Dec 18 18:02:42 PST 2022
Hello:
I would like to calculate the maximum volume made by selection of atoms in a given structure. Can you provide guidance on how to go about this process? It seems like there should be a simple procedure in ChimeraX but I have failed to locate it.
My specific problem: I would like to calculate the volume of the void created by ice under various conditions so that my physical chemistry students can quantify and visually understand partial molal volume non-ideality.
I would greatly appreciate any assistance you can provide.
Dan
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