VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 21 2020 - 13:42:10 CDT
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- In reply to: fulvio ciriaco: "covalent atomic radii customization"
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You can set the radii for particular atoms using atom selection 'set'
commands, e.g. (silly example):
set sel [atomselect top "name CA"]
$sel set radius 5.0
If you don't have explicit bond information, you can then make
VMD re-guess your bond topology (for the top molecule) with:
mol bondsrecalc top
You can recalculate VMD's interpretation of the the entire structure with:
mol reanalyze top
If you search the mailing list and read the VMD scripting tutorials
you can do a lot with simple atom selection text commands like these.
Best,
John
On Thu, Oct 08, 2020 at 09:18:30PM +0200, fulvio ciriaco wrote:
> dear vmd users,
> I have some badly distorted structures with bond lengths too long to be
> correctly recognized by vmd, I would like to modify the atomic radii
> table of vmd to obtain a better structure and visualization.
> Precisely there are inter residue dna bonds.
> How can this be done?
> yours
> Fulvio Ciriaco
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/
- Next message: John Stone: "Re: Set molecule ID by topo tools"
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- In reply to: fulvio ciriaco: "covalent atomic radii customization"
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