That's strange... I've never tried user color schemes on continues values,
but the following with bwr gradient works for me:
set isosurfacepropertysmoothing false;
isosurface NATSAS select {1.1} sasurface 1.2 map color ABSOLUTE 0 120
property temperature colorscheme bwr;
If the colors don't change
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
I think I've cracked it:
If I use RANGE as part of the ISOSURFACE command, it seems to have no effect
load $caffeine
calculate partialCharge
isosurface vdw map mep color range -1.0 1.0
isosurface vdw map mep color range -0.1 0.1
but after that I can modify the color gradient with the COLOR
Hi,
Am 24.05.2012 um 20:37 schrieb Oliver Stueker:
Still I think an option to let Jmol generate a legend for the applied
gradient would be a nice feature.
like 'set isosurfacekey on;' ?
Best
Alexander--
Live
Hi,
is there a way to get a list of all isosurface and contact objects? Like with
'getProperty modelInfo;', which gives you modelInfo.modelCount so you can loop
through modelInfo.models[i]. There is 'getProperty isosurfaceInfo' but this is
only for the currently selected isosurface, that is
Hallo Alexander,
Yes, just like that! Thanks for the pointer!
I wonder how I missed that?!?
Is there any way to show the numeric values of the min, max and center?
Like the color bar in:
http://matplotlib.sourceforge.net/mpl_examples/pylab_examples/colorbar_tick_labelling_demo_00.png
Oliver
Well, I see what the problem is. First, the original design was for the
color options to precede the mapping object.
isosurface options1 surface1 MAP options2 surface2 display options
I realize that's very unclear from the documentation. The command should be:
isosurface vdw map color range
That's a bug. Fixed for Jmol 12.2.27 and 12.3.27.
On Thu, May 24, 2012 at 4:57 PM, Christopher King ck...@troy.edu wrote:
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
print getProperty(shapeinfo.isosurface.id)
s1
s2
On Thu, May 24, 2012 at 9:37 PM, Alexander Rose alexander.r...@weirdbyte.de
wrote:
Hi,
is there a way to get a list of all isosurface and contact objects? Like
with 'getProperty modelInfo;', which gives you modelInfo.modelCount so you
can
yes, I just found that out earlier today. It's fixed.
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
On Wed, May 23, 2012 at 11:42 PM, Oliver Stueker
revilo2...@users.sourceforge.net wrote:
Hi,
I get an NullPointer when trying to write a PNGJ in Jmol 12.3.26.
$ write IMAGE
Hi Bob,
I see. Actually I forgot to use the MAP keyword (actually it seems to be
implied when I use property_xxx).
and I can also confirm that
ISOSURFACE my_iso1 VDW COLORSCHEME bwr COLOR RANGE -1.0 1.0 property_xxx
works (even without MAP) but
ISOSURFACE my_iso1 VDW property_xxx COLORSCHEME
Thanks!
I think PNGJ is a really great feature. (passing arguments to script-files,
as well)
Oliver
On Thu, May 24, 2012 at 5:12 PM, Robert Hanson hans...@stolaf.edu wrote:
yes, I just found that out earlier today. It's fixed.
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
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