CCL: primitive unit cell from CIF file

In the more recent versions of Materials Studio you can do this directly, i.e. switch between conventional and primitive unit cells at your leisure. It is in the Build --> Crystal menu, listed as change to primitive cell or something similar. Doing it by hand can also be fun too!

Best,
Aron

On Thu, Jul 30, 2009 at 6:03 PM, Gerd Neudert gneudert!^!web.de <owner-chemistry*|*ccl.net> wrote:

Sent to CCL by: "Gerd  Neudert" [gneudert#web.de]
Mudit  dixit wrote:
>Hi everyone,
>I was wondering if there is a simple (free) utility for producing a
>primitive cell (not conventional) from an asymmetric cell and space group.
>Basically, I want to be able to easily go from a crystallographic
>information file to a primitive unit cell. I have material studio, but I dont >know how to do it.
>Any help would be appreciated.
>Thanks,
>Mudit Dixit


The program fconv should do this for you. You can download it after free registration under:
https://pc1664.pharmazie.uni-marburg.de:433/index.php?topic=download

CIF files are supported although they are not mentioned on the site.
Please contact me if you encounter any problems!



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