To make it easier for users to get started with IGMPlot software, we have provided
comprehensive tutorials based on simple practical cases.
Understanding and using
the IGM approach
This document is devoted to present the main features of the program. Please refer
to the online IGMPlot documentation to get more information about all
After the introductory water dimer example, the practical cases addressed here are
independent so that you can process them separately.
Prior to the tutorial, you will need to:
- Install and run IGMPlot (http://igmplot.univ-reims.fr)
- Install and run a graphical plotting program like GNUPLOT to generate
2D-plot from multi-column text files (http://www.gnuplot.info)
- Install and run VMD (https://www.ks.uiuc.edu/Research/vmd/) to generate
3D-isosurface graphical representations
- Edit and save text files
For each tutorial,
the molecular description of the studied systems is supplied in an
archive. You can access the necessary files by downloading this archive. Once downloaded, place it in a convenient location and extract its contents.
Then, follow the instructions of the tutorial.
It is strongly advised to read the Introduction section and
the theoretical background before starting.
The following examples were made with the facilities provided by the
computational center “CRIANN” in France (region of Normandie)
I. Introduction and theoretical background
II. Iconic example: the water dimer
III. Copper complex
IV. Quantifying intramolecular π-stacking
V. Bond strength and Pair Density Asymmetry
VI. Ligand … Protein interactions
VII. Critical point search
VIII. Inductive attractive electronic effect