CCL:G: How to visualize molecular orbitals from Gaussian output file?
From: Benjamin Stein <benjamin.w.stein**gmail.com>
Subject: CCL:G: How to visualize molecular orbitals from Gaussian
output file?
Date: Wed, 6 Jul 2011 10:25:18 -0600
Avogadro (http://avogadro.openmolecules.net/) works well, and is free. Simply open a
formatted checkpoint file and you're ready to go. It also works on all three
platforms.
On Jul 6, 2011, at 7:48 AM, Gegham Galstyan
gegham/azedat.fu-berlin.de wrote:
Sent to CCL
by: Gegham Galstyan [gegham[]zedat.fu-berlin.de] Dear CCLers,
do you
know any good software for linux, mac or windows that can be used to visualize
occupied molecular orbitals from gaussian03 output? I just want to quickly
select the occupied pi-MOs among all MOs in a given molecule. Thanks a lot
beforehand for any help/suggestion.
With best
wishes, Gegham
--- Gegham Galstyan PhD student at AG
Knapp Macromolecular Modeling Group Institute for Chemistry and
Biochemistry Free University of Berlin Fabeckstr. 36a, 14195 Berlin,
Germany Tel. +49 30 838 53612 e-mail: gegham:+:chemie.fu-berlin.de
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