[xcrysden] eliminating extra bonds

[Tone Kokalj]

On Mon, 2009-05-11 at 08:11 +0200, Sebastijan Peljhan wrote:
> On Sat, 2009-05-09 at 07:13 -0700, Hana Milani wrote:
> > Hello all,
> > 
> > Is there a way to eliminate the extra bonds that we see in the image
> > due to the relaxation procedure?.
> 
> You have an option "Mode" in a XCrySDen right sidebar. By clicking the
> "Logic" button the new options appear and you can choose what to draw
> (or not) by clicking appropriate options.
> 
> If you would like to eliminate only one part of the bonds (the longest
> bonds, actually) you can change (decrease) the connectivity factor in a
> "Modify/Atomic Radius" menu.

In addition to that, you can change the covalent radii of elements (same
window as for chemical connectivity factor).
This is not a "total" bond editing, but by using both the chemical
connectivity factor and the covalent radius (the two are used as a
criteria of where to plot a bond), it is possible to handle many
situations.

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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