19 Dec
2022
19 Dec
'22
2:02 a.m.
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