Multiwfn forum

permanenputro

Member

Registered: 2020-12-31

Posts: 18

ESP colored molecular surface

Dear Prof. Tian Lu

I have followed the tutorial to obtain an ESP map using the link below with the title "Plotting electrostatic potential colored molecular surface map with ESP surface extrema via Multiwfn and VMD", from stages 1 to 2. In stage 3, it is recommended to use Photoshop software; whereas, I don't have it. Can I get an ESP map (as shown below) without using Photoshop?. I also attached the 3 output files obtained by Multiwfn, as input files for VMD software.

#Link
http://www.shanxitv.org/multiwfn/res/plotESPsurf.pdf

#Figure

#google drive
https://drive.google.com/drive/folders/ … sp=sharing

Danke

Last edited by permanenputro (2021-01-16 00:43:45)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: ESP colored molecular surface

I strongly recommend following this tutorial instead, which illustrates the easiest way to obtain best graphical effect:

Using Multiwfn and VMD to easily plot electrostatic potential colored molecular vdW surface map
https://youtu.be/QFpDf_GimA0

However, you still need to manually label some ESP extrema, you can use powerpoint to do this.