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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.

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

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.

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

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

I've replied you on RG