IGMPlot can be used to identify and quantify molecular interactions over a broad range: from non-covalent can to covalent bonding. It facilitates:
*Studying molecular system from a wave function (QM treatment)
* Studying large systems like ligand-protein complexes from the atomic cartesian
coordinates only (promolecular ED)
* Separating between intramolecular and intermolecular interactions, covalent or
hydrogen-bonding or vdW interactions
* Probing and quantifying interactions between two given fragments in a molecular
system (both QM and promolecular modes)
* Determining the strength of a given bond and its polarization
* Estimating the atomic contributions to an intermolecular interaction
* Building isosurfaces representing the region of space where the interactions take
place
* Monitoring interactions along molecular dynamics or along a reaction path

IGM analysis of molecular interactions: From non-covalent to covalent bonding

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