I cannot remember why I excluded branch rotation from asynchonous spinning.
But there does not appear to be a reason for it. I have adjusted the code
to allow it when no final rotation angle is given. Please let me know if
you figure out what we didn't allow that!
SPIN BRANCH {atomno=1} {atomno=2} // default rate of 10 degrees per minute
SPIN BRANCH {atomno=1} {atomno=2} 60 // 60 degrees per minute
stopped with SPIN OFF
see http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.9_2014.11.26.zip
Jmol.___JmolVersion="14.3.10_2014.11.27"
bug fix: SPIN BRANCH {atomno=2} {atomno=1} does not work
code: scriptExt.IsoExt splits CmdExt into two parts
-- (note this will require changes to build_03_tojs_stable)
code: simplification of SurfaceGenerator
bug fix: JVXL files do not record selected contour
bug fix: isosurface CONTOUR -n broken (in Jmol 12)
bug fix: isosurface "t.jvxl" loading of contoured planes broken
bug fix: isosurface plane xy map property atomno broken every other time
used
new feature: isosurface contour 0 "t.jvxl" will override contour selected
in JVXL file
new feature: isosurface CONTOUR n i
-- n contours; i-th only
FEATURE CHANGE: For the ISOSURFACE command, there is an undocumented
syntax that the CUTOFF keyword prior to a number is optional,
as in "ISOSURFACE 2.0". This was never documented and was never
shown in any examples. This change is to require the CUTOFF keyword
new feature: isosurface LATTICE {i j k} FIXED
-- creates an isosurface from periodic volumetric data
with the specified number of unit cells
-- "fixed" in the sense that the operation is at load time
not at rendering, allowing slabbing and use of WITHIN
new feature: isosurface UNITCELL x.x ....
-- for periodic lattices only
-- adjusts grid by x.x in fractional coordinates
-- caution is advised, as the grid is expanded in this process,
leading to more grid points and more memory required
-- negative x.x results in a selection of a subset of the data
centered on the center of the unit cell
On Wed, Nov 26, 2014 at 3:07 PM, Otis Rothenberger <[email protected]>
wrote:
> I don't know Angle, but this looks pretty cool to me:
>
> select within(branch, {atomno=2}, {atomno=3}); rotateSelected {atomno=2}
> {atomno=3} 1; loop .01
>
> Pick your speed!
>
> Otis
>
> --
> Otis Rothenberger
> [email protected]
> http://chemagic.com
>
> > On Nov 26, 2014, at 3:57 PM, Angel Herráez <[email protected]> wrote:
> >
> > Thanks, Otis
> >
> > I would not want jumps, but smooth rotation and without an end. I think
> that
> > your suggestion of a loop will always have to end after a certain total
> angle.
> >
> > I agree that it seems there is not a spinSelected solution. However, the
> doc
> > says rotateSelected takes all the same arguments as rotate, and rotate
> doc
> > includes the spin argument. Also, spin is said to share all options with
> rotate.
> > This does not seem to be the case with "selected" or "branch".
> >
> > I am now also testing an alternative with multi-model loading and basic
> > rotateSelected applied to each frame separately, which gives me the
> > "stepped" rotation and be made indefinite using "anim on". Not the best
> > solution, but might be the only one.
> >
> > (By the way, Jaim, this exploration is for your case we were discussing
> > today)
> >
> >
> >
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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