Multiwfn forum

bmakiabadi1359

Member

Registered: 2020-03-30

Posts: 1

Generating colored mapped scatter map of NCI RDG isosurfaces

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

Last edited by bmakiabadi1359 (2020-03-30 07:17:18)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Generating colored mapped scatter map of NCI RDG isosurfaces

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