<html>Dear Matic, thank you for your answer,<br />this HALF solved my problem as some parameters are still missing (see below).<br />Your second option of saving the structures and state is a good idea but requires some additive work by modifying each xsf file (its only a concatenation but custom-definition does not require it and conserve only one initial xsf file)<br />for the moment I read one time my foo1.xsf and put all my options, then I save it with "save state and structure" as foo1.xcrysden, then remoove the struct part, then I write:<br /><br />(cat <(echo "set xsfStructure {") <(sed ...) foo2.xls <(sed ...) foo1.xcrysden)>tmp.xcrysden |xcrysden -s tmp.xcrysden ; rm tmp.xcrysden<br /><br />wich do correctelly the job in one line.<br /><br />BUT to do it using custom-definition:<br />I said HALF solved because I do not see in the doc http://www.xcrysden.org/doc/custom.html the key words to change properties for each atom other than<pre>set atmRad(1) 0.5 that impose the display radius of atom 1
set atmCol(1) {0.5 0.5 0.5} that impose the color of atom 1
--> I want to impose the Covalent radius of atom X <--
I also want to to impose the point of view and zoom without using the "save state and structure"...
but I don't know if it is possible to obtain a so complete result as with your first solution
</pre>For the other options I asked in my example:<br />The crystal box disapears by changing in custom-definitions:<br />set myParam(FRAMERODF) 0.0<br />(why does set myParam(FRAMELINEWIDTH) 0 change nothing?)<br />and for the background color<br />set myParam(BACKGROUND) {1.00 1.00 1.00}<br /><br /><br />Thank you very much,<br /><br />Antoine Jay<br /><br />On Thursday, January 25, 2018 16:37 CET, Matic Poberznik <matic.poberznik@gmail.com> wrote:<br /> <blockquote type="cite" cite="466c406b-0c42-3769-8c3a-3e3494b382af@gmail.com">Dear Antoine,<br /><br />Perhaps a better way to have the same viewing parameters for each<br />structure is by using the "Save Current State and Structure option", and<br />it doesn't mess with the defaults (you just replace the "STRUCTURE" part<br />of the saved file with an alternative xsf and open the script again, if<br />the supercells are the same in both cases the orientation and all other<br />parameters should be the same as well.<br /><br />> Does anyone have a complete example with all the possible key words?<br />> In my case I only need to impose:<br />> atomic covalent radius (11)=0.5<br />> dispay Crystal cell =false<br />> background color =white<br /><br />For your original question; a somewhat detailed overview (though<br />probably not complete) is available here:<br /><br />http://www.xcrysden.org/doc/custom.html<br /><br />Check under: Customizing various display parameters<br /><br />For changing the background see the Xcrysden_defaults file description (<br />a little bit lower on the page)<br /><br />I suppose you are looking for:<br /><br />Custom_definitions:<br />set atmRad(11) 0.5<br /># line-width of crystal cell's frames<br />set myParam(FRAMELINEWIDTH) 0<br /><br />Xcrysden_defaults:<br />*Viewer*activeBackground: #ffffff<br /><br />hope this helps,<br /><br />Best Regards,<br />Matic<br />--<br />Matic Poberznik<br />J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia<br />_______________________________________________<br />Pw_forum mailing list<br />Pw_forum@pwscf.org<br />http://pwscf.org/mailman/listinfo/pw_forum</blockquote><br /><br /><br /> </html>