Subject: Re: Crystal structure and XYZ coordinates

From: David Gallagher <[email-masked]>
Date: Wed, 03 Jan 2001 07:32:45 -0800

Dear Sergei,

CAChe includes a crystal builder with all 230 space groups. You select the 
space group from a pull-down menu and it highlights which parameters are 
needed. You can paste in or type in the fractional coordinates and then 
define the size and type of the crystal to be built along each of the three 
axes. CAChe can also read Shel-X, Cambridge, etc. directly, and handles all 
elements up to 103. CAChe has won several awards for ease-of-use. The 
excellent visualization includes coordination polyhedra, thermal ellipsoids 
and optional full-color stereoscopic. The crystal builder is in all 
versions of CAChe including Personal CAChe on Windows and Mac at $495 for 
academics. You can download a free evaluation copy from 
www.cachesoftware.com or call 503 531 3600 for a CD and any questions.

Hope this helps, happy new year,
David Gallagher, Fujitsu
[email-masked]
Tel: 1 503 746 3607

At 05:53 PM 1/3/01 -0500, you wrote:
>Dear Netters:
>
>Suppose I have cell parameters and would like to
>build a piece of crystal and save Cartesian coordinates
>of atoms that will be inside of sphere (ellipsoid, cube,
>etc.) with given radius.
>
>What software (free or commercial) could do that? (Easy to
>use, options, good visualization capability would be preferences).
>
>Thanks in advance for a kind consideration of this request.
>Have a great 2001!
>
>  Best regards,
>
>  Sergei
>
> >.-----------------------------------------------------------------------.
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