[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
> > 
> > _______________________________________________
> > XCrySDen mailing list
> > XCrySDen at democritos.it
> > http://www.democritos.it/mailman/listinfo/xcrysden
> 
> -- 
> 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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