Once the molecule file is fully
loaded the image at right will become live. At that time the
"activate 3-D" icon
will disappear.
This
tutorial will step you through making this page, which compares
the
shapes of the degenerate pair of HOMOs found for ethane.
If
you
started on the
main
tutorial page you have probably completed the preparation
steps.
Preparation:
- Download the data file ethane-staggered-3-21G.log.
- Open this file in the Jmol application.
- Open the Jmol Web Page Maker dialog by clicking on the
"Export to Web Page..." icon
or by selecting "Export to Web Page..." within
the "Export" submenu of the "File" menu.
- Select the ScriptButton template by clicking on the
ScriptButton tab.
- Enter the necessary information into the fields on the
left
hand side of the dialog(see general set up)
Make the first button:
- Open the scripting console (right mouse button,
control-click on one button mouse, > Console).
- Navigate to the last frame of the file. Use either the
command "frame 1.9"
or the pop-up menu (right mouse button > model > 1.9).
- Turn on spinning (right mouse button > Spin >
On).
- Display MO #8. Use either the command "mo 8" or the pop-up
menu (right mouse button > Surfaces > Molecular
Orbitals
> 1..25 > 8 -0.4773)
- Add the annotation at the bottom using the echo command: "set echo bottom center; echo
"MO
#8 one of two degenerate HOMOs"".
- Save this view by clicking on the "Add Present Jmol State
as Instance..." button near the bottom right of the dialog.
- Enter
the text you want to appear in the button in the small
dialog that pops
up. I suggest "MO 8". Click "OK". This
will add this
instance to the list in the large window on the right side
of the
dialog box.
Make the second button:
- Display MO #9. Use either the command "mo 9" or the pop-up
menu (right mouse button > Surfaces > Molecular
Orbitals
> 1..25 > 9 -0.4773)
- Change the annotation to reflect the change in orbital
using the command: "echo
"MO #9 one of two degenerate HOMOs"".
- Save this view by clicking on the "Add Present Jmol State
as Instance..." button.
- Enter
the text you want to appear in the button in the small
dialog that pops
up. I suggest "MO 9". Click "OK". You
should now have two instances in your instance list.
Make the third button:
- Turn off the display of MO #9 with the command: "mo off".
- Create the cyan display of MO #8 with following commands:
- "isosurface
homoa mo 8 mesh nofill;"
- "color
isosurface cyan;"
- Create the yellow display of MO #9 with the equivalent
commands:
- "isosurface
homob mo 9 mesh nofill;"
- "color
isossurface yellow;"
- Change the annotation to reflect what is now displayed
using the command: "echo
"Cyan (MO#8)|Yellow (MO#9)"".
The line right before the word "yellow" is a vertical
line,
usually found as the shift character for the backslash "\".
This
vertical line causes everything after it to appear on a new
line.
- Save this view by clicking on the "Add Present Jmol State
as Instance..." button.
- Enter
the text you want to appear in the button in the small
dialog that pops
up. I suggest "HOMO Comparison". Click "OK".
You should now have three instances in your instance
list.
Create the web page:
- Double
check your entries in the text boxes on the left side of the
dialog box
(you may not have reset them since making a different web
page).
- Click
on the "Save .html as ..." button near the bottom left.
Choose a
location and name for the page. A directory of that
name will
be
created in the location you choose. It will contain
many
files.
- Check that your page is OK. If necessary move a copy of
the
whole directory just created to your test directory (see
instructions
on testing locally). Open the .html
file. It should look like this.
- Add the descriptive text that appears in this left hand
scrolling window. You only need to edit the .html
document.
- Open the .html document in your favorite WYSIWYG Web
page
editor. Some suggestions are:
- KompoZer
(open source, not
recommended as of
version 0.8 because bugs damage javascript),
- SeaMonkey
(Open source. You must check "Preserve original
source formatting" in Preferences > Composer. This is the author's
favorite editor),
- Amaya
(open source, complete, but harder to use).
- Be
careful when editing not to do anything to the picture of
Jmol at right
or the buttons.
It is
possible to damage the javascript so that the page will
not work. Note you can safely change the name of the buttons.
- Once the page is the way you want it copy everything in
the directory containing this file to your web server except for the
jsmol directory. Make sure to put it in the appropriate
directory on your server.
You're done!
You may look at any of these intermediate views again by
clicking on the appropriate button.
Based on template by A.
Herráez as modified by J. Gutow
Using directory /Users/gutow/Desktop/Make a ScriptButton Page
adding JmolPopIn.js
...jmolApplet0
...adding MO_8.png
copying and unzipping jsmol.zip directory into /Users/gutow/Desktop/Make a ScriptButton Page
...copying
file:/Users/gutow/Documents/Web Pages/Jmol_Web_Page_Maker/How-To/Make a ScriptButton Page/ethane-staggered-3-21G.log
to
/Users/gutow/Desktop/Make a ScriptButton Page/ethane-staggered-3-21G.log
...adding MO_8.spt
...jmolApplet1
...adding MO_9.png
copying and unzipping jsmol.zip directory into /Users/gutow/Desktop/Make a ScriptButton Page
...adding MO_9.spt
...jmolApplet2
...adding Comparison.png
copying and unzipping jsmol.zip directory into /Users/gutow/Desktop/Make a ScriptButton Page
...adding Comparison.spt