Package: wnpp Severity: wishlist Owner: Drew Parsons <dpars...@debian.org> X-Debbugs-Cc: debian-de...@lists.debian.org, Debichem Team <debichem-de...@lists.alioth.debian.org>, Debian Science List <debian-scie...@lists.debian.org>
* Package name : iqmol Version : 3.1.2 Upstream Contact: Andrew Gilbert <andrew.gilb...@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.
