so documented. http://www.stolaf.edu/people/hansonr/jmol/docs/index.htm#centerAt
two questions:
Are the integers Rasmol units? (We generally are not mentioning these in the
documentation, even if they are available.)
Is it really true that
> # offset relative to the average atom position
> # this was the default in Jmol 10.00
> centerAt average 1 1 1;
That is, 1 Angstrom off in all directions?
Miguel wrote:
On 17 Aug 2005 at 8:59, Miguel
announced Jmol prerelease 10.00.32
- default center of rotation is now the center of the bounding box
instead of the average point
- centerAt provides additional flexibility for defining the center of
rotation
This "centerAt" is not documented. Can anyone explain it?
I am interested since I have had trouble with positioning some models.
centerAt absolute|boundbox|average { <x> <y> <z> }
absolute specifies absolute angstroms coordinates
boundbox is relative to the center of the boundbox. The boundbox is
defined by the minimum and maximum atom center coordinates along each of
the cartesian axes.
average is relative to the average atom position. Also known as the
'unweighted center of gravity'
If coordinate values are not specified then they are assumed to be 0,0,0
# absolute cartesian coordinates 1.0, 2.0, 3.0
centerAt absolute 1.0 2.0 3.0;
# the following two are equivalent
centerAt absolute;
centerAt absolute 0 0 0;
# offset relative to the center of the boundbox
centerAt boundbox 10 20 -30
#the following are equivalent to the Chime + new default centering position
centerAt boundbox 0 0 0;
centerAt boundbox;
center;
center all;
center *;
select all; center selected;
# offset relative to the average atom position
# this was the default in Jmol 10.00
centerAt average 1 1 1;
# the following are equivalent
centerAt average 0 0 0;
centerAt average;
Miguel
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Professor of Chemistry, St. Olaf College
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