CCL: way to convert .cif file to a complete lattice
- From: Jerome Kieffer <Jerome.Kieffer{=}terre-adelie.org>
- Subject: CCL: way to convert .cif file to a complete lattice
- Date: Fri, 27 May 2011 15:47:50 +0200
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 :)