[Debichem-devel] Bug#1121559: ITP: igmplot -- identify, characterize, and quantify molecular interactions

[Drew Parsons]

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

* Package name    : igmplot
  Version         : 3.17
  Upstream Contact: Jean-Charles Boisson <jean-charles.boisson at univ-reims.fr>
* URL             : http://igmplot.univ-reims.fr/
* License         : CeCILL-c
  Programming Lang: C++
  Description     : identify, characterize, and quantify molecular interactions

IGMPlot: Independent Gradient Model Plot

By using IGMPlot you can identify and quantify molecular interactions
over a broad range: from non-covalent to covalent bonding, through
metal coordination. This tool can be helpful for interpretation
accessible to a wide community of chemists (organic, inorganic
chemistry, including transition metal complexes and reaction
mechanisms). 

The CeCILL-c licence (http://cecill.info/index.en.html) is used by
other debian packages (scotch, mumps).

A new ADF library (contact Alexei Yakovlev, SCM) introduced in this
version of IGMPlot is provided under the GNU Lesser General Public
License (LGPL), version 3.

To be maintained with the Debichem team alongside other quantum
chemical packages such as nwchem, which can generate the wavefunction
files used by IGMPlot.