N C I

Theory

Download NCIPLOT et al.

    NCIPLOT

    NCIPLOT-add-ons

    Solids

    MD

    Other programs

    Useful tips and scripts

Organized trainings

Exercises

Image gallery

NCI news

Literature

Software download

If you have a NCI program that you want to share, just contact me!

NCI in Jmol

NCI for Orca

    Use a density cube directly to get your NCI picture thanks to Jmol

    Just go here

    You want to make your NCI picture from an ORCA calculation?

    Just go here

NCI in PyMol

NCI web App

    Display plots from Nciplot in PyMOL

    Just go here

    You will find a README file and the script ncy.py.

    Jmol Applet to convert density cubes (high resolution) into NCI picutures

    Just go here

IGMPlot

Colored 2D Gnuplot maps

    Program for the analysis of IGM model densities in the electron density gradient

    Just go here

    C. Lefebvre, G. Rubez, H. Khartabil, J.-C. Boisson, J. Contreras-Garcia, E. Henon, "Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density", Phys Chem Chem Phys 19, 17928 (2017)Link