Dear Bob,
Thank you very much for your suggestions!
good day,
Km
------------ Original Message ------------
From : "Robert Hanson"<[email protected]>
To : [email protected]
Mail Subject : Re: [Jmol-users] __Jmol visualization with Supercells
Sent : Tue, 29 Nov 2011 05:28:52 -0600
On Tue, Nov 29, 2011 at 5:11 AM, krishna Mohan Grangadhran Prasanna <[email protected]> wrote:Sorry for my last EMPTY mail:
Dear Robert Hassen,
Many thanks for your scripts and latest version of Jmol. Of course it is very useful & I got repeated images of the supercell.
Still I have a question:
Since newbies like me prefer GUI than *console interaction* to display supercells, Can Jmol do it via its GUI (simply by clicks)? OR console command is still a necessary?
Interesting question! We could never anticipate all the interesting things people would want to do with Jmol. The philosophy is quite different from most programs. So we have not tried to make a GUI that does every sort of thing that people would want to do.
The real value of Jmol is that it is scriptable. What you can do is to create a web page -- maybe even just on your own computer using the signed applet -- and then add buttons that run your scripts. Thus, you can customize Jmol to do anything you want, and there is no need for "plug-ins" like other programs.
And you can customize the pop-up menu to do whatever you want as well.
So, yes, there's a learning curve, and yes, using the console is necessary.
My team is now working for an open-source GUI based on Jmol+Java, in windows platform for DFTB+ program; And we really like to have this feature in it (displaying supercells via GUI rather by using console...).
Ah, right, I see. So then you are already well into that other possible option. OK, then what you do is add a bit of customization to the Jmol pop-up menu if you want, and you should be all set. And since you have that additional GUI, you can just create that interface yourself outside of Jmol itself.
Just tie whatever you do to viewer.script(), and it should work perfectly.
Bob Hanson
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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