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#1 2023-07-24 21:59:11
- claire
- Member
- Registered: 2020-05-25
- Posts: 11
Editing atom radius size in GUI
Hi, is there a way to make atoms of a certain element have a larger radius, when visualizing in the GUI? Thank you!
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#2 2023-07-28 05:10:51
Re: Editing atom radius size in GUI
I just updated Multiwfn on official website, now you can use "vdwrfile" in settings.ini to replace the default van der Waals radii.
Corresponding new option in settings.ini:
vdwrfile= none // The path of the file defining the van der Waals (vdW) radii, affecting atomic sizes in GUI window and some analysis results. "examples\element_vdwr.txt" is a template, you can modify it and specify it as the file. If write "none", default vdW radii (bondi) will be used.
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