about .xyz format

[GÜLAY ALGÜL]

I have used Nanocap to build fullerence (buckyball) of C48. I opened C48.xyz file, obtained by Nanocap software, in VESTA. To build ZnO buckyball( 24 Zn and 24 O atoms), in VESTA I have used C48 buckyball obtained in Nanocap. In VESTA, I made the replacement of C atoms with 24 Zn and 24 O atoms to build ZnO buckyball. Then to save this new file, I used "Export Data" and choose the File Type as "xyzz" format. But, I could not get the file in .xyz format. VESTA made it as .vesta format.  But, I need  .xyz format. Please could you help me how to do it.

Thanks,

Gülay

 

[KK M]

Can you send the .vesta file to check, if it can be done at my end?

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[GÜLAY ALGÜL]

Thank you...

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[KK M]

hi

i tried just now. but my VESTA version is old one. (i.e. 3.4.7) So its not opening directly but some how its opening only Fullerene C60. Not even C48 as you said.

did you send correct file to me? but anyway as you may be using new version than mine, so, i might not be able to open. if you have original .XYZ file from nanocap, may be i can try, if i can open.

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[GÜLAY ALGÜL]

 I have attached two files obtained from NanoCap (C48NanoCap.xyz) and Vesta (C48.vesta) for C48.

Thank you..

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[KK M]

the vesta file says some features cannot show as I'm using Vesta 3.4.7 version. but still it opened.

the nano file with xyz format opened. both attached as screenshot how i look them in my version.

And both files are exported as .xyz files and attached here.

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[GÜLAY ALGÜL]

Thank you for your email. 

But I can not get the buckyball like in C48.vesta. After I transformed the C48NanoCap.xyz file from NanoCap , I changed the atom size (I took the atom size as 0.3 A) , bond line ( I took the bond line as 0.1 A) and bond length between C-C atoms (I took the max bond length as 0.5 A) to get the buckyball like in C48.Vesta file in VESTA. After alI these changes, I saved it by using "Export Data" and choosing the file type as xyz format. But I can not get the buckyball like in C48.vesta. I would like to see the buckyball C48 like in C48.vesta but in xyz format not in vesta format.

Thank you for your your consideration.

Gulay

 

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