[xcrysden] How to activate atom radius in script file ?

Tone Kokalj tone.kokalj at ijs.si
Fri Feb 25 14:42:55 CET 2011


On Mon, 2011-02-07 at 19:15 +0900, Ken Hattori wrote:
> Dear all,
> 
> I would like to ask you how to activate atom radius description in
> script files.
> When we Save Current State and Structure as a script file (.xcrysden),
> the information of "Atomic radii" is saved as, for instance,
>   xc_newvalue .mesa 4 1 1.532000
>   xc_newvalue .mesa 10004 1 1.499000
> The former should be Display radius and the latter should be covalent
> radius,
> for hydrogen.
> 
> However, it does not work when I Open XCrySDen Scripting File, 
> that is, their radii are still 0.532000 and 0.499000, respectively,
> in the display in my system.
> 
> Other descriptions, e.g., atomic colors, work.
> 
> I am not sure that this is a problem of my installing/setting, or not.
> My system is XCrySDen 1.4.1, binary package for Linux-i386 (statically
> linked),

Try with 1.5.* version of code, and if it still does not work let me
know. The above recipe seems ok.

32bit-linux:
http://www.xcrysden.org/download/xc-1.5.17-linux_x86-semishared.tar.gz
64bit-linux:
http://www.xcrysden.org/download/xc-1.5.21-linux_x86_64-semishared.tar.gz

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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