Bug#1031523: ITP: iqmol -- molecular builder and visualization package
Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dparsons@debian.org>
X-Debbugs-Cc: debian-devel@lists.debian.org, Debichem Team <debichem-devel@lists.alioth.debian.org>, Debian Science List <debian-science@lists.debian.org>
* Package name : iqmol
Version : 3.1.2
Upstream Contact: Andrew Gilbert <andrew.gilbert@anu.edu.au>
* URL : http://iqmol.org/
* License : GPL
Programming Lang: C++
Description : molecular builder and visualization package
IQmol is able to build molecules, set up and submit input for Q-Chem
calculations, and analyse the output. Analyses include display of
molecular surfaces (densites, molecular orbitals) and animations of
frequencies and reaction pathways.
To be maintained by the Debichem Team.
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