I want to cancel duplicate cells in VESTA

[Dr. ATHAR]

Hello!
I want a way to remove duplicate cells from my composite. They always appear as duplicates in VESTA, and I want only one cell to appear.
Please help.

[Micah Prange]

In the dialog where you set up the bonds (from the edit menu or apple-b), for each bond definition choose the option that does not search for atoms outside the cell. Or export the structure in .xyz format and reopen that file.

[Liubov Antipina]

Dear collegues,

It also annoyed me that when opening files with symmetry, VESTA constantly draws bonds from neighboring unit cells. And specifically for carbon atoms, it doesn't draw just one or two, but a whole lot, which slows down the system. And constantly opening the bonds window and manually setting "do not search atoms beyond the boundary" for each one gets tedious.

I found a way to fix this — try it, maybe it'll work for you. In the file
Users\XXX\AppData\Roaming\VESTA\style\default.ini
replace the C-C bond parameters line from:
112 C C 0.00000 1.89002 0 2 0 0 1
to:
112 C C 0.00000 1.89002 0 0 0 0 0

The same change should be made in the style.ini file located in the folder where VESTA was installed. Now it should not search for additional bonds and will only display bonds within the unit cell for carbon.

четверг, 24 июля 2025 г. в 07:25:06 UTC+3, Micah Prange: