<![CDATA[Multiwfn forum / rotate a molecule and visualize the RDG in VMD using script]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=495 Wed, 05 May 2021 20:57:59 +0000 FluxBB <![CDATA[Re: rotate a molecule and visualize the RDG in VMD using script]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1768#p1768 I've replied you on RG

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Wed, 05 May 2021 20:57:59 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1768#p1768
<![CDATA[Re: rotate a molecule and visualize the RDG in VMD using script]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1767#p1767 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

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Wed, 05 May 2021 17:32:54 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1767#p1767
<![CDATA[Re: rotate a molecule and visualize the RDG in VMD using script]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1765#p1765 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.

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Wed, 05 May 2021 15:43:02 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1765#p1765
<![CDATA[rotate a molecule and visualize the RDG in VMD using script]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1763#p1763 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

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Wed, 05 May 2021 15:20:17 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1763#p1763