Sure.
rotate BEST
does more than simple 90-degree rotations. Could be different definitions
of what is "best" of course. What it has now is "smallest volume with
thinnest side directed toward the user and longest side along X."
Were you sure to select the same set of atoms as you did in your algorithm?
select not water
rotate BEST
?
I think it looks very good for 108L....
Bob
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