How to visualize the ELF isosurface using Paraview software ?

zako · 发表于 Post on 2020-4-19 01:22:41

本帖最后由 zako 于 2020-4-19 01:23 编辑

Hello everybody,
I would like to know how i can visualize the ELF isosurface using the Paraview Software?

Sincerely,

sobereva · 发表于 Post on 2020-4-19 01:36:10

There is no reason to use paraview to visualize ELF, because VMD is easier to use and the graphical effect in showing isosurface is better.

If due to special reason you have to use paraview to visualize ELF, you can use main function 5 of Multiwfn to calculate grid data of ELF, then go to subfunction 2 of main function 100, you will find an option used to export the grid data as .vti file, which can be loaded by Paraview.

zako · 发表于 Post on 2020-4-19 02:43:50

Thank you very much Professor for the explanation, and the reason i choose the paraview software is because he give a better image. (See image).

sobereva · 发表于 Post on 2020-4-19 03:53:40

ChimeraX can give even better graph, see this video tutorial:
Plotting electron localization function (ELF) isosurface using Multiwfn and ChimeraX
https://youtu.be/vC48iEB8PwI

zako · 发表于 Post on 2020-4-24 02:07:01

Dear Professor Tian Lu,
You are absolutely right about using ChimeraX, i get much better results.
Thank you very very much.

		自动登录 Automatic login	找回密码 Forget password
密码 Password			注册 Register

[Multiwfn使用咨询] How to visualize the ELF isosurface using Paraview software ?

浏览过的版块