From owner-chemistry[ AT ]ccl.net Mon Nov 5 18:02:00 2018 From: "Tian Lu sobereva[*]sina.com" To: CCL Subject: CCL: New Chemistry Software: IGMPlot Message-Id: <-53540-181105175952-19125-OAAuWJa7i64P8XImzL1jkA++server.ccl.net> X-Original-From: "Tian Lu" 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 more powerful. 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. Best regards, Dr. Tian Lu ----- Original Message ----- > From: "Eric H non ricouhenon#,#gmail.com" To: "Lu, Tian " Subject: CCL: New Chemistry Software: IGMPlot Date: 2018-11-06 04:46 Sent to CCL by: "Eric H non" [ricouhenon-*-gmail.com] Dear Colleagues, 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.