[xcrysden] question on extracting the atomic positions from Xcrysden

[Tone Kokalj]

On Thu, 2012-12-06 at 10:02 -0700, Tram Bui wrote:
> Dear Xcrysden Users,
>    I'm a "very light" user who has really limitted experience with
> xcrysden. Would you please give me some detail information on how to
> extract all atomic positions from a crystal structure 

Perhaps the easiest way is to save it as XSF file (File-->Save XSF
Structure). Now the atoms (in Cartesian Angstrom units) within the
unitcell will be present under PRIMCOORD section, whereas all the
"currently" displayed atoms will be listed under "ATOMS" section. For
further details consult http://www.xcrysden.org/doc/XSF.html

Regards,
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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