[xcrysden] coordinates of asymmetric unit
Mahmoud Payami Shabestari
mpayami at aeoi.org.ir
Fri Nov 19 13:36:06 CET 2010
Dear Sebastijan,
Thank you very much for your help.
In fact, those data under the flag "ATOMS" was what I needed.
Thank you again and cheers,
mahmoud
>
> One possible way to do that is:
>
> File -> Save XSF Structure (Ctrl+S)
>
> You can find your atomic coordinates (in Angstrom units) under a flag
> "ATOMS" in newly saved xsf file. The new vectors of crystal cell need
> to
> be calculated manually, unfortunately.
>
> Cheers,
>
> Sebastijan
> >
> > Best regards,
> > Mahmoud Payami,
> > AEOI, Tehran, Iran
> >
> > _______________________________________________
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>
> --
> Sebastijan Peljhan
> Department of Physical and Organic Chemistry
> "Jozef Stefan" Institute
> Jamova 39
> 1000 Ljubljana
> Slovenia
>
> tel.:+386 1 4773 523
> fax.:+386 1 4773 822
> email: sebastijan.peljhan at IJS.SI
>
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