Re: Generating colored mapped scatter map of NCI RDG isosurfaces

dummy@example.com (sobereva) — Mon, 30 Mar 2020 15:27:26 +0000

Plotting this kind map is easier via current version of Multiwfn (version 3.5 is already quite old), you do not need to manually modify the .txt file anymore.

Please carefully follow below video tutorial, which contains the illustration of plotting colored NCI scatter map.
Using Multiwfn to perform NCI analysis to reveal intra- and intermolecular interaction
https://youtu.be/e4FpVc9ao48

Generating colored mapped scatter map of NCI RDG isosurfaces

dummy@example.com (bmakiabadi1359) — Mon, 30 Mar 2020 06:14:08 +0000

Dear Multiwfn users,

I am trying to generate a colored mapped scatter map of NCI isosurfaces according to the instruction of the multiwfn 3.5 manual. W were able to generate the output.txt file as instructed and we have used ultraedit text editor to remove the first 3 columns of the data as instructed. Also, we install gnuplot program. We do not have the folder containing gnuplot executable file for moving of output.txt and the RDGmap.gnu fils into this folder. Also, what is RDGmap.gnu and where do we find it?

Could you please direct us that we can have a coloured scatter plot?

Thanks in advance for your usual help.

Regard