CCL: Fractional coordinates to cartesian

[Geoffrey Hutchison <geoffh|pitt.edu>]

 Sent to CCL by: Geoffrey Hutchison [geoffh!=!pitt.edu]
> I have a few crystal structures in fractional
>  coordinates (in
>  papers, so I don't have them in electronic format) that I need
>  converted to cartesian to compare them to some calculations that I
>  have done.
>  
Open Babel supports a "free-form fractional" file format for
 exactly
 this purpose. You can convert them to whatever output format with
 babel. (I had exactly the same problem, which is why it's supported.)
 http://openbabel.sourceforge.net/wiki/Free_Form_Fractional
 Cheers,
 -Geoff
 -------------------------------------------
 Geoff Hutchison
 Assistant Professor
 University of Pittsburgh, Department of Chemistry
 219 Parkman Avenue
 Pittsburgh, PA 15260