CCL: New Chemistry Software: IGMPlot
- From: "Tian Lu" <sobereva|a|sina.com>
- Subject: CCL: New Chemistry Software: IGMPlot
- Date: Mon, 5 Nov 2018 17:59:50 -0500
Sent to CCL by: "Tian Lu" [sobereva%%sina.com]
I am happy to known that the new version IGMplot has been released and become
The IGM method is needed very useful for revealing weak interactions, it is more
flexible and has better graphical effect than the popular NCI method. I would
like to let colleagues know that due to importance of the IGM method, it has
also been efficiently implemented in my code Multiwfn (http://sobereva.com/multiwfn) since version 3.5, which
should be a good alternative to IGMplot. Currently only promolecular
approximation version of IGM is supported, built-in atomic density for all
elements in the periodic table is available. The wavefunction form of IGM has
not been supported yet, in this case the IGMplot should be the only choice. In
addition, all relevant methods, including the DORI method, full form and
promolecular approximation version of NCI method, as well as average NCI method
had been supported by Multiwfn since long time ago. Interested users could
consult examples in Section 4.20 of the latest version of the manual.
Dr. Tian Lu
----- Original Message -----
> From: "Eric H non ricouhenon#,#gmail.com"
To: "Lu, Tian " <sobereva^-^sina.com>
Subject: CCL: New Chemistry Software: IGMPlot
Date: 2018-11-06 04:46
Sent to CCL by: "Eric H non" [ricouhenon-*-gmail.com]
We are pleased to announce the new IGMPlot release 2.4, which is available for
download at http://igmplot.univ-reims.fr .
For more details please refer to the online DOC. It provides chemists with a
visual analysis of covalent and non-covalent interactions
(apologies for any possible cross-posting).
IGMPlot is an implementation of the IGM / NCI approach using either promolecular
density or an electron density obtained
> from wave-function calculations (wfn) for detecting and plotting
interactions. A very attractive feature of the IGM model is to
provide an uncoupling workflow that automatically extracts the interaction
signature between user-selected groups of atoms.
Both the IGM and NCI results are given by IGMPlot.