Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

You are not logged in.

#1 2021-05-05 15:20:17

Hans
Member
Registered: 2018-10-24
Posts: 10

rotate a molecule and visualize the RDG in VMD using script

I want to make a molecule rotate on one of its axes (either up / down / right / left) by pressing a button on the keyboard (preferably one of the directional buttons) (see fig. 1). I think this would be possible using a script, but I don't know how to write that file.
fig-1.png

this and about the visualization of the RDG I posted it on researchgate but I can't find an answer:

https://www.researchgate.net/post/Vmd_script_in_VMD

https://www.researchgate.net/post/How_t … D_software

Offline

#2 2021-05-05 15:43:02

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,622
Website

Re: rotate a molecule and visualize the RDG in VMD using script

You do not need to use any additional script. Simply activate VMD OpenGL window, and press h or j or k or l button, the molecule will correspondingly rotate.

You can also customize hotkeys by editing [VMD folder]\scripts\vmd\hotkeys.tcl.

Offline

#3 2021-05-05 17:32:54

Hans
Member
Registered: 2018-10-24
Posts: 10

Re: rotate a molecule and visualize the RDG in VMD using script

ok, could you also answer the question related to the RDG plot posted on researchgate? It has several additional files, it is for this reason that I do not post it here

https://www.researchgate.net/post/Vmd_s … _about_RDG

Offline

#4 2021-05-05 20:57:59

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,622
Website

Re: rotate a molecule and visualize the RDG in VMD using script

I've replied you on RG

Offline

Board footer

Powered by FluxBB