From owner-chemistry@ccl.net Wed Oct 31 12:30:01 2007
From: "Noel M O Boyle baoilleach(_)gmail.com" <owner-chemistry(-)server.ccl.net>
To: CCL
Subject: CCL: Yet another software recommendation request
Message-Id: <-35536-071031115919-16416-vS6wvg2lmmd8TdzBoFhOgw(-)server.ccl.net>
X-Original-From: "Noel M O Boyle" <baoilleach|-|gmail.com>
Date: Wed, 31 Oct 2007 11:59:15 -0400


Sent to CCL by: "Noel M O Boyle" [baoilleach++gmail.com]
Avogadro can do this. It's Open Source and available for Linux, Mac and Windows. 

It's available from http://avogadro.sf.net

Noel

> "Andrew D. Fant fant{=}pobox.com"  wrote:
> 
> Sent to CCL by: "Andrew D. Fant" [fant]|[pobox.com]
> Greetings all,
>     Having reached that point of my life where I want to spend time less
> time being my own systems administrator, I've decided to replace my
> (deceased) notebook with a shiny new mac (at least after macworld when
> the prices drop).  Given this, would people please share their favorite
> 3d capable molecular editor that runs natively in MacOSX and Carbon.  I
> know that there are free options if I use parallels to run something
> under Windows, or the X server, but I have had nothing but hassles with
> that approach on the lab workstation (nasty cut and paste errors and
> random crashes).  I was apparently the last to discover that ChemDraw
> doesn't do any real 3D functionality on the Mac after buying a copy.
> What I want is something that will let me sketch a small molecule with a
> reasonably simple interface, convert it to a 3D form, and do enough of a
> structural minimization to get the geometry cleaned up enough that a
> real MM/MD or quantum program won't choke on it.  Oh, and it needs to be
> within the budget of a self-funded graduate student, which is to say
> that I am not eager to drop several hundred dollars for it.
> 
> Any nominees?
> 
> Thanks,
>      Andy
> 
>