[Debichem-devel] Bug#1031523: ITP: iqmol -- molecular builder and visualization package

[Drew Parsons]

Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dparsons at debian.org>
X-Debbugs-Cc: debian-devel at lists.debian.org, Debichem Team <debichem-devel at lists.alioth.debian.org>, Debian Science List <debian-science at lists.debian.org>

* Package name    : iqmol
  Version         : 3.1.2
  Upstream Contact: Andrew Gilbert <andrew.gilbert at 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.