[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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