[xcrysden] rotate cordinate by script(or other) to fixed amount

Tone Kokalj tone.kokalj at ijs.si
Tue Mar 29 08:43:16 CEST 2011


On Mon, 2011-03-21 at 01:47 +0530, Rudra Banerjee wrote:
> Dear Friends,
> I want to view and print a number of files with the viewport
> (coordinate) changed. How I can rotate the xyz file in same amount
> each time i open the file?
> I cheked customs-defination(nothing there), FAQ and scripting
> site....but failed to solve the problem.
> $ xcr fcc1.xyz
> --script /opt/XCrySDen-1.5.17-bin-semishared/Tcl/scripting::rotate x 5

xcrysden scripting commands are not supposed to be run from command
line, but instead loaded (read) from the script file. 

Say, you put your rotating command into a file named roatate5.xcrysden,
which could look as:

scripting::open --xyz  fcc1.xyz
scripting::rotate x 5

Then you execute xcrysden as:
xcrysden -s rotate5.xcrysden


For more info see: http://www.xcrysden.org/doc/scripting.html

Regards, Tone

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

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