Angel Herraez

copyright notice in splash panel updated to 2024

Confirmed: a PNGJ saved from Urs' webpage (JSmol 14.29.29) and dropped onto Jmol 16.1.47 shows the shift in all positions of echo.

save orientation "default"; moveto <etc.> ; save orientation "last";</etc.> all that written in the state. I believe that's the suggestion. So the user can type the command restore orientation "last" to undo any rotation actions done after loading the state

I didn't know about this being included in the state save orientation "default"; Daniel's suggestion looks to me like a nice feature. I guess it would not be hard to include it when saving a state, right?

Hello, Sawada Not perfect, but it approximates to what you are looking for (at least wih your example molecule): rotate selected best; boundbox {all}; The 1st command changes the coordinates of all atoms. The 2nd forces a recalculation of the boundbox to the new coordinates. Not sure how it will work with other molecules.

Hello, Toshihiko Could you please define more precisely what is yor idea of "minimum" bounding box? Based on atom coordinates rather than vdW sphere outer coordinates, maybe? [feature-requests:#263]https://sourceforge.net/p/jmol/feature-requests/263/ minimum bounding box Status: open Group: v14 Created: Fri May 19, 2023 05:54 AM UTC by Toshihiko Sawada Last Updated: Fri May 19, 2023 05:54 AM UTC Owner: nobody Hello, Jmol developers and users I'm interested in building a minimum bounding box of the...

Hi Federico You are right, but anyway how would you set the script file for your intended command line parameters? I think there will always be the need to provide data in a variable. How about using an array variable? -J "arg = ['oxygen', 'pink']" -s myscript.spt and then in myscript.spt use arg[1] etc arg[2] etc , like this: select @{arg[1]}; color @{arg[2]};