[Chimera-users] Chimera Question

Tom Goddard goddard at sonic.net
Mon Jan 24 16:07:50 PST 2011


Hi Graeme,

   Unfortunately the Chimera unit cell dialog only makes use of unit 
cell angles, edge lengths and the crystal space group from PDB format 
files.  It may be that our CIF reader also reads those parameters, and 
if it does it should be easy for me to improve the unit cell dialog to 
work with them.  Could you send me a CIF file so I can try with your 
example?

     Tom

> Hello Chimera Feedback Team,
>
> For clarity and conciseness, I will jump immediately to my issue.
> I wish to import a CIF file of an inorganic crystal structure into the
> Chimera Program so that I can selectively eliminate certain atoms, and
> potentially create a video similar to one of the examples given on the
> website with a rotation and zoom into the meat of the structure.
> The file I import (.CIF) should have the proper symmetry group listed in
> addition to the lattice parameters of a unit cell, but when I try to
> generate a unit cell, the space group, cell size, and cell angles sections
> are blank, and therefore no copies can be made.  Also, the viewing options
> give a choice between part ball and stick, part full atom, and essentially
> nothing else even with selecting the different presets.  I know I am not
> working with PDB files but if there is anything in there that you could
> help me with, I would greatly appreciate it.
>
> Sincere Thanks,
>
>
> Graeme Gardner
> Graduate Assistant
> Rutgers University Department of Chemistry and Chemical Biology
>




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