Back in March I commented on how the "draw pointgroup" command didn't do
what I expected. Further playing around shows that the scale value can
only be set once. Here are steps to reproduce the problem.
Load a file with the desired symmetry, such as ethane. (Or, just go to
http://wiki.jmol.org/index.php/Jmol_in_Pop-up, and see the behavior there.)
Open the console, and enter "draw pointgroup c3 1 scale 1.5". One of
the C3 axis is displayed, with its axis a bit long, since it is scaled.
Enter "draw pointgroup c3 1 scale 0.8". Although the scale value is
smaller, nothing changes. Expected behavior: the axis would become
shorter.
Close and restart Jmol (I'm using 12.3.26).
Load the same file.
Enter "draw pointgroup c3 1 scale 0.8". Notice that the axis is much
shorter, since the scale value is smaller.
Enter "draw pointgroup c3 1 scale 1.5". Although the scale value is
larger, nothing changes. Expected behavior: the axis would become longer.
It appears that Jmol checks to see if the scale value has been set. If
it has, it doesn't allow the value to be changed, so the only way to
change it is to restart the program. Also, if the first command is,
e.g., "draw pointgroup c3 1", then scale is probably given an initial
value, because a second command of "draw pointgroup c3 1 scale 1.5" does
nothing.
On 3/26/2012 11:42 AM, Robert Hanson wrote:
draw pointgroup is very special -- it creates a whole set of objects.
I don't think "scale" is an appropriate keyword, since you have points
and lines and planes and such. Jmol wouldn't know what to do with that
scale. So you have to go with what it gives you. You could hack it by
saving the state, then going in with a text editor and adding the
scale to the various DRAW commands that represent all the different
elements. Not saying that's a solution....
Bob
On Mon, Mar 26, 2012 at 8:08 AM, Christopher King <ck...@troy.edu
<mailto:ck...@troy.edu>> wrote:
Good day,
I've loaded the structure of ethane into Jmol 12.3.18. (The
same behavior is also observed
athttp://wiki.jmol.org/index.php/Jmol_in_Pop-up
<http://wiki.jmol.org/index.php/Jmol_in_Pop-up>.) The command
"draw pointgroup c3 1" nicely displays the C3 axis in this
molecule. If I then do "draw delete; draw pointgroup c3 1 scale
1.2", nothing changes. That is, the scale option does not seem to
work. Likewise, "draw delete; draw pointgroup Cs 1 scale 1.2"
doesn't scale a mirror plane.
Also, "draw ID c3axis pointgroup c3 1" doesn't work, nor does
"draw color(blue) pointgroup c3 1".
Have I uncovered a bug, or am I just misunderstanding the
documentation?
Thanks,
Chris
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--
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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