From owner-chemistry@ccl.net Mon Oct 15 13:40:01 2007
From: "Gon alo Justino goncalo.justino-#-dq.fct.unl.pt" <owner-chemistry+/-server.ccl.net>
To: CCL
Subject: CCL: How to mix input geometries
Message-Id: <-35384-071015110425-23231-v6lGafrV6RatJ+nivftnTA+/-server.ccl.net>
X-Original-From: "Gon  alo  Justino" <goncalo.justino[A]dq.fct.unl.pt>
Date: Mon, 15 Oct 2007 11:04:21 -0400


Sent to CCL by: "Gon  alo  Justino" [goncalo.justino]~[dq.fct.unl.pt]
Dear all,

I'd like to hear your opinion on the following trivial procedure: how would you   build an input geometry combining a molecule with an undetermined geometry and a group with a known and fixed geometry? An example: taking the case of glucuronidea, I would like to use the pre-determined structure of the glucuronide moiety and fuse it with other geometries; besides the copy/paste procedure, are there any alternatives?

Thanks in advance to all,
Gonalo Justino