Package: wnpp Severity: wishlist Owner: Drew Parsons <[email protected]> X-Debbugs-Cc: [email protected], Debichem Team <[email protected]>, Debian Science List <[email protected]>
* Package name : iqmol Version : 3.1.2 Upstream Contact: Andrew Gilbert <[email protected]> * 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.
