I've implemented some changes to rotate.
First, all the standard stuff is unchanged. You can certainly still do
rotate x 50
rotate z -10
but now there are more options. Prinipal among them:
1) You can address either the "fixed" xyz coordinate system of the
Jmol window as these commands do, or you can now rotate around the
"internal" model frame (the axes you see when you "set axes on". So,
for example:
rotate INTERNAL x 20
rotates the model around its center point about IT's x axis,
regardless of how you might have rotated the molecule with respect to
the fixed frame.
2) You can specify an atom or set of atoms around which you wish to
rotate:
rotate x 20 (atomno=3)
That's a full atom expression -- anything you could select you could
put in there. Or:
rotate INTERNAL x 10 (oxygen)
That would be about the geometric centers of all the oxygens on an
axis that is parallel to the model's internal x axis.
3) You can include a second atom set; the INTERNAL keyword is now
implied and unnecessary:
rotate 30 (atomno=3) (atomno=5)
To complement this, I've added a new picking option: SPIN. So you
can say
set pickingMode SPIN 20
The spin rate, 20 in this case, is optional. 10 is the default. Now
when you click on two atoms, the model smoothly rotates around an
invisible axis connecting them. Click again, and rotation stops. Click
more, and it rotates around whatever atoms you have chosen. Tell me
this isn't fun!
4) You can substitute xyz coordinates as [x,y,z] (commas optional, but
brackets required. Those are internal coordinates, of course.
rotate 20 [0 0 0] [1 1 1]
rotate 20 x [2 2 0]
5) You can specify a previously drawn object (point, line, or plane)
to use for the rotation or in place of an atom set for its center
position. Brackets are required.
draw line1 150 (atomno=1) (atomno=14)
rotate [line1] 30
Ends of these drawn lines automatically become rotation initiators, by
the way. Click on the end of any drawn line, and the model will
rotate. SHIFT-click and it will go clockwise. You can set the rate with
set picking spin 30
6) You can specify an axis and an angle, either FIXED or INTERNAL and
rotate around it:
rotate axisangle INTERNAL 20 [1 1 1]
does the same as above, but
rotate axisangle 20 [1 1 1]
rotates in the FIXED frame instead.
7) Finally, I added "-x" "-y" and "-z" just for good measure and also
gave rotate some defaults -- y axis at a rate of 10. So you can use:
rotate
rotate 20
rotate -x
rotate -z
A decent test page is at
http://www.stolaf.edu/people/hansonr/jmol/test/json/spin.htm
Bob Hanson
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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