On Nov 16, 2005, at 3:43 PM, Miguel wrote:
Is there a way to get Jmol to tell me the current centerAt boundbox
coordinates, once I have changed the center by a command such as
"center 124:a.ca" ?
Not sure exactly what you are asking with the phrase 'current centerAt
boundbox'
what I meant was
"current centerAt boundbox coordinates"
I think that is different.
i.e., the current coordinates that jmol is using, so that I could
issue the command
centerAt boundbox x y z
using the coordinates in place of x,y,z.
so, if I say
center atomno=23
then i would like to be able to say,
centerAt boundbox xcoord ycoord zcoord
and get the same result. I am looking for the values of xcoord, etyc.
that will give me the same result as "center atomno=23.
I don't think that is addressed by what is below, if I understand it
correctly.
...F
Here is some stuff in random order that might help:
For a given molecule, the boundbox is always the same. The axes are
drawn
from the center of the boundbox to the centers of the faces of the
boundbox. Since the boundbox is always the same the axes are always
the
same.
set boundbox on;
set axes on;
With recent versions of Jmol, the default center is the center of the
boundbox. You can show the center coordinates with:
show center;
You can then change the center in a number of ways
center <some-set-of-atoms>; show center;
Or, you can use the centerAt command:
centerAt average; show center;
centerAt boundBox; show center;
centerAt absolute 0 0 0; show center;
It is somewhat complicated, but 'average' and 'boundbox' can also take
relative offsets. In the sample below, the second command will have
the
center be 10 anstroms along the X axes to the right of the default
boundbox.
centerAt boundBox; show center;
centerAt boundBox 10 0 0; show center;
Miguel
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