How to remove atoms

[Yifei Shi]

Hi,

When I select some atoms and press delete, they are removed from display but in the structure parameters the data still remains. How do I remove these data entries?

Thanks very much!

Best,
Yifei

[jame...@gmail.com]

Hi Yifei,

After deleting from the atoms from vesta, you can use file...export data... and export the coordinate files. 

VESTA will pop and message for saving the hidden atoms, press "no". In the new file, it should have the new structure parameters.

Junbo

[Mark Nimlos]

On Sunday, March 4, 2018 at 6:47:15 PM UTC-7, Junbo Chen wrote:

Hi Yifei,

After deleting from the atoms from vesta, you can use file...export data... and export the coordinate files. 

VESTA will pop and message for saving the hidden atoms, press "no". In the new file, it should have the new structure parameters.

Junbo

On Monday, February 12, 2018 at 5:24:27 PM UTC-5, Yifei Shi wrote:

Hi Junbo,

I don't think that Export Data actually works that way. There is no pop up asking if you want to save the hidden atoms.

[Junbo Chen]

Hi Mark,

I just tried again and VESTA generates an xyz file with the atom I deleted. 

Just to clarify, I am running VESTA on mac, and the popup windows did show up. Might not be the case for Ubuntu or Windows.

Junbo

[Artem Sergeev]

Hi Jundo,

the export to *.xyz does the trick but it doesn't save the crystal lattice information. On the other hand, exporting to *.cif saves all the atoms (including the deleted ones). So the question stays: how to permanently remove an atom from a certain crystallographic position rather than just deleting one of its image?

Best regards,

Artem      

[Muthu V]

​why don't you use edit -> edit data -> structure parameter  ​

here too you can delete atoms and can play with different export data options 

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[Cippo Lippo]

Unfortuately
1) Shift+Select not implemented
2) Terribly difficult to do it analytically in many cases

[K K Sram]

hi

i am not sure, if i fully understood, your exact problem. but a sin=milar situation i faced earlier.

but then, its better to resolve it through Material Studio software, and export the file as *.cif and then work with VESTA, rather than VESTA directly. It worked for me of such deletions.

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