[Chimera-users] ellipsoids

[Tom Goddard]

Hi Carlos,

  The fix is in tonight’s daily build, the one that will be compiled in about 14 hours (2 AM Pacific time).  It is not available yet.

  Chimera does not handle small molecule crystals.  It is for protein and nucleic acid structures.  So it does not handle the small molecule cif format which has extra symmetries that occur only in small-molecule crystals — you will need other software for that.

	Tom


> On Mar 12, 2018, at 12:04 PM, Carlos Romero wrote:
> 
> Hello Tom,
> 
> thank you for your quick answer. I just installed the daily build however the problem persist. Any suggestion? 
> Moreover i have a new problem, a cif file that contain totally symmetric molcule, Chimera only represent half! while other softwares confirm that the cif file is correct. An expert in crystallography said that it might because a special inversion center and that " the program should apply the symmetry to complete the molecule" could you help me with this too? i thank you very much for your valuable help
> 
> Carlos
> 
> On Mon, Mar 12, 2018 at 7:06 PM, Tom Goddard <goddard at sonic.net <mailto:goddard at sonic.net>> wrote:
> Hi Carlos,
> 
>   The Chimera unit cell tool was not copying the anisotropic b-factor information.  I fixed that in tonight’s daily build.
> 
>         Tom
> 
> 
> > On Mar 12, 2018, at 6:16 AM, Carlos Romero  wrote:
> >
> > First of all congratulations for the your software Chimera, it renders really beautiful images and helps attracting the interest of students for science!
> >
> > I have a question. I am representing an X-ray structure from cif file. I am able to build up the unit cell, but i would like all the atoms to be represented with the thermal ellipsoids. However, i can only apply the ellipsoids to one molecule of the unit cell. Would it be possible to display all molecules with the ellipsoids and not only one? i was unable to find a solution.
> >
> > Thanks a lot in advance for any help
> >
> > kind regards
> >
> > Carlos
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> 

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