[xcrysden] Some questions about xcrysden for crystal06

[Tone Kokalj]

On Wed, 2009-05-27 at 09:07 +0800, zhuyingtao wrote:
> Dear all，
>  
> I use the latest version of xcrysden for crystal06, and want to remove
> atoms from system, but I can’t get the label of atom, which I want to
> remove.

I remember this problem. There were two problems: 

1) old versions of xcrysden will do it wrong anyway

2) for nwere versions: after pressing the "Selected" button in the
Select window the atom is actually selected but noting was seen in the
"Atomic Label:" entry. This was because of the print format. Instead of,
say, "2" it was printed "         2", but because the corresponding
entry is very small and the label is not visible. Check this: click with
mouse into this entry and scroll with cursor to the right. Does the
label appears?

Regards, Tone

PS: to Lorenzo: 
zhuyingtao is refering to xcrysden's interface to crystal program, there
is an option to remove atoms interactively, hence this is not the
"AtomInfo" button. Although it seems that your suggestion would work for
zhuyingtao too, it will actually not. In crystal one specifies only the
irreducible atoms, and zhuyingtao needs the label of the corresponding
irreducible atom. Yet this would work for the P1 spacegroup (=no
symmetry).

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

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