From owner-chemistry&$at$&ccl.net Fri May 27 12:49:01 2011
From: "Jerome Kieffer Jerome.Kieffer---terre-adelie.org" <owner-chemistry/./server.ccl.net>
To: CCL
Subject: CCL: way to convert .cif file to a complete lattice
Message-Id: <-44774-110527094854-12859-YpTkGrkpK+OLp4Fhu0z+dw/./server.ccl.net>
X-Original-From: Jerome Kieffer <Jerome.Kieffer{=}terre-adelie.org>
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Date: Fri, 27 May 2011 15:47:50 +0200
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Sent to CCL by: Jerome Kieffer [Jerome.Kieffer---terre-adelie.org]
On Fri, 27 May 2011 05:49:55 -0400
"Bhaskarjyoti Borah bhaskargreen%%gmail.com" <owner-chemistry() ccl.net> wrote:

> 
> Sent to CCL by: "Bhaskarjyoti  Borah" [bhaskargreen**gmail.com]
> Dear all,
> 
> I am having a situation here. I have a .cif file of a zeolite framework obtained from zeolite database. Now I want to obtain the super lattice( say one unit cell of the zeolite lattice in real coordinates) of the zeolite. Does anybody know any program which can do this for me? Or if anybody has some script to do this, could you kindly share the same with me. Any suggestions will be highly appreciated. Thanks in advance. 
> 

Use Mercury (from the CCDC) which has this nice "bug" of saving all atoms displayed:
-open the cif
-display full cell
-save as xyz

-- 
Jerome Kieffer <Jerome.Kieffer() terre-adelie.org>

PS: I reported this as a bug and I got the answer this is a feature :)