From chemistry-request@ccl.net Tue Jun 21 03:26:37 2005
Received: from caravelle.univ-lemans.fr (caravelle.univ-lemans.fr [195.221.244.4])
	by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5L7QVQj003600
	for <chemistry [] ccl.net>; Tue, 21 Jun 2005 03:26:32 -0400
Received: from alb.cristal.org (alb.univ-lemans.fr [172.16.40.56])
	by caravelle.univ-lemans.fr (8.13.1/8.13.1/(CeTIC - 30/09/04)) with ESMTP id j5L6akiR002954
	for <chemistry [] ccl.net>; Tue, 21 Jun 2005 08:36:47 +0200 (CEST)
Message-Id: <5.2.0.9.2.20050621083132.01fc0d10 [] mel.univ-lemans.fr>
X-Sender: lebail [] mel.univ-lemans.fr
X-Mailer: QUALCOMM Windows Eudora Version 5.2.0.9
Date: Tue, 21 Jun 2005 08:36:36 +0200
To: chemistry [] ccl.net
From: Armel Le Bail <alb [] cristal.org>
Subject: Re: CCL:Software for combinatorial generation of structures
In-Reply-To: <4109.200.165.141.250.1119319799.squirrel [] mercury.chem.pitt
 .edu>
Mime-Version: 1.0
Content-Type: text/plain; charset="us-ascii"; format=flowed
X-Virus-Scanned: ClamAV 0.86rc1/948/Tue Jun 21 07:52:23 2005 on smart.univ-lemans.fr
X-Virus-Status: Clean
X-Spam-Status: No, score=0.1 required=5.0 tests=FORGED_RCVD_HELO 
	autolearn=failed version=3.0.3
X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net


>     I am looking for a program capable of generating structures of
>molecules in a combinatorial way.

See a list of programs in this paper;
http://journals.iucr.org/b/issues/2002/04/00/bk0108/bk0108.pdf
Though they may not completely fulfill your dreams...

For inorganic compounds, see:
http://journals.iucr.org/j/issues/2005/02/00/cg5019/cg5019.pdf
and references inside.

Best wishes,

Armel Le Bail




