[Chimera-users] Trouble with thermal ellipsoids

[sherden at caltech.edu]

I can't seem to get the thermal ellipsoids to work.  I have a number of
.cif files that are all perfectly good files (have been cif-checked) and
all of which I know for a fact have anisotropic data as I can get thermal
ellipsoids to display from these files in other programs like Diamond
(which we are trying to move away from).  But any time I select an atom or
group of atoms and use either the "aniso" command or the "Show Thermal
Ellipsoids" dialogue box I just get: "No atoms chosen had anisotropic
information."  This is just not true though, I can open up the .cif files
in question and see the anisotropic data listed for the given atoms with
my own two eyes.

  Any thoughts?  I am probably doing something immensely stupid, that is
usually the case with such situations.

   --Nat (Nathaniel Sherden)

California Institute of Technology
Department of Chemistry