[xcrysden] Atom coordinates extraction

[Emmanuel Betranhandy]

Dear all,

I use to compare big cells (with more than 100 atoms, and for the moment 
base-centered monoclinic ones) together as they are geometrically 
optimised. The problem - for me - is that their respectives coordinates 
(as they are very close to eachother) can not be directly superimposed 
due to the initial positions of atoms. However, I have notice that by 
considering each atom trough the AtomInfo, I can obtain coordinates 
which can be used as they are. My questions are the following :
- which procedure is used to convert the coordinates ? I read the tcl 
files, but I could not find anything linked to this (perhaps I did 
mistakes, as I am not familiar with Tcl/Tk).
- can this new coordinates been exported (by a script, or else ?).
Thanks

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