[xcrysden] labeling the atoms

[Tone Kokalj]

> -------- Forwarded Message --------
> From: Raghani Pushpa <pushpa@sissa.it>
> To: Tone Kokalj <tone.kokalj@ijs.si>
> Subject: No Subject
> Date: Sat, 18 Jun 2005 15:22:22 +0200 (CEST)
> 
> i have a question: in xcrysden, is there a way of labeling the atoms by 
> their number (not the atomic number, the sequencial number acc. to which 
> the atomic positions are defined in the i/p file)?

Yes there is: you have to display only the reference cell (no
replication), and you should use the "Display->Unit of
repetition->Translation asymmetric unit". Then you click on AtomInfo
button
on the bottom-left of the xcrysden main window, and click on the desired
atom. The number under the ID label, is your requested information.

Regards, Tone