[Chimera-users] Trouble with thermal ellipsoids

sherden at caltech.edu sherden at caltech.edu
Tue Mar 30 10:35:55 PDT 2010

Okay, thanks, I'll have to go check out the daily builds and then get back
to you on this.

  --Nat (Nathaniel Sherden)

> Hi Nat,
> You are not doing anything wrong -- it may be that you need a newer
> version of Chimera.
> For a while Chimera only read the anisotropic B-factor information
> from PDB files.  I believe that is true for version 1.4, but if you
> get version 1.5 (in the daily builds part of the download page) it
> should work with CIF anisotropy information too.  I just tried a CIF
> file of my own with both these versions.  Guess this should be
> mentioned in the "what's new" release notes, but I didn't know until
> now that the problem had been fixed!
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> On Mar 30, 2010, at 1:19 AM, sherden at caltech.edu wrote:
>> 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

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