IGMPlot website

IGMPlot - A code using either promolecular or QM density with IGM-δg index for detecting and plotting interactions.


Reims Champagne-Ardenne University, Reims, FRANCE

Independent Gradient Model Plot

Authors of the code: J. Klein1, E. Pluot1, G. Rubez1,2, JC. Boisson1 and E. Hénon 1

Contributors: H. Khartabil1, C. Lefebvre1, M. Ponce-Vargas1, J. Contreras-Garcia3

1 Reims Champagne-Ardenne University, Moulin de la Housse, Reims, France
2 ATOS/BULL Company, Echirolles, France
3 Sorbonne University, UPMC Univ Paris 06, Paris, France

Copyright University of Reims Champagne-Ardenne
Authors: Emmanuel PLUOT, Gaetan RUBEZ, Jean-Charles-BOISSON and Eric HENON
Contributors: Hassan KHARTABIL, Corentin LEFEBVRE, Julia CONTRERAS-GARCIA

jean-charles.boisson@univ-reims.fr, eric.henon@univ-reims.fr

This software is a computer program whose purpose is to detect and quantify interactions from electron density obtained either internally from promolecular density or calculated from an input wave function input file. It also prepares for the visualization of isosurfaces representing several descriptors (dg) coming from the IGM methodology.

This software is governed by the CeCILL-C license under French law and abiding by the rules of distribution of free software. You can use, modify and/ or redistribute the software under the terms of the CeCILL-C license as circulated by CEA, CNRS and INRIA at the following URL "http://www.cecill.info".

As a counterpart to the access to the source code and rights to copy, modify and redistribute granted by the license, users are provided only with a limited warranty and the software's author, the holder of the economic rights, and the successive licensors have only limited liability.

In this respect, the user's attention is drawn to the risks associated with loading, using, modifying and/or developing or reproducing the software by the user in light of its specific status of free software, that may mean that it is complicated to manipulate, and that also therefore means that it is reserved for developers and experienced professionals having in-depth computer knowledge. Users are therefore encouraged to load and test the software's suitability as regards their requirements in conditions enabling the security of their systems and/or data to be ensured and, more generally, to use and operate it in the same conditions as regards security.

The fact that you are presently reading this means that you have had knowledge of the CeCILL-C license and that you accept its terms.