Here is my report.
PM*
12.0.11 and 12.1.9: no differences in performance observed
*
# bug fix: failure to read old-style JVXL files.
works fine, old file read correctly
# bug fix: isosurface contour colors, contours, and drawHover
set drawHover true; isosurface color absolute -0.01 0.9
Pshemak,
I'll take that as all works except SQUARED
Thanks very much.
Bob
On Wed, Sep 1, 2010 at 7:58 AM, Pshemak Maslak p...@chem.psu.edu wrote:
BTW: Does squared work? It did not have any effect on contour or
color-cross-sections.
On 9/1/2010 9:15 AM, Robert Hanson wrote:
Pshemak,
I'll take that as all works except SQUARED
Thanks very much.
Bob
Yes indeed.
I understand the the hole (at the center of cross-section) is under
development because of grid issues.
The SQUARED not working may be my ineptitude. Perhaps
The hole in the center is always going to be a hole in the center unless you
use the FULLPLANE option. Jmol has no idea what to do with the data in the
hole, as there is no data there! If you don't want the hole, increase the
resolution of the plane.
ISSQUARED is fixed now. I'll upload that later
Dear Bob,
I downloaded Jmol-12.0.11_dev today 9/1 about 10 AM.
The VERY good news: It works fine in both my under-development
tutorial on MHC in the JTAT shell, and in FirstGlance in Jmol
(limited testing).
-
I found 1 Bug. This bug has been present since 11.6.RC12. I was
hoping
done. I retro-added it to 12.0, just because.
Jmol 12.1.9 and 12.0.11 will have sp3d and sp3d2 hybridizations. See
documentation for details.
Bob
On Fri, Aug 27, 2010 at 6:45 AM, Egon Willighagen
egon.willigha...@gmail.com wrote:
Hi Bob,
I'm writing up a short tutorial on orbital drawing,
heh,heh, not THERE's an obscure bug:
# bug fix: color label none when already none and after rendering for
multi-line labels or with antialiasdisplay crashes Jmol
Here's the test:
label x|x
color labels none
refresh
color labels none
Bob
On Wed, Sep 1, 2010 at 3:46 PM, Eric Martz
Bob,
There is a general aromatic problem that I'm having with find SMILES
that's easiest to explain with a specific scenario. If I load benzene
and run var x={*}.find('SMILES');echo @x, I get:
c1=cc=cc=c1
If I use model kit mode to make 1,3-cyclohexadiene, the same var
On Wed, Sep 1, 2010 at 10:21 PM, Otis Rothenberger osrot...@chemagic.comwrote:
Bob,
There is a general aromatic problem that I'm having with find SMILES
that's easiest to explain with a specific scenario. If I load benzene
and run var x={*}.find('SMILES');echo @x, I get:
c1=cc=cc=c1
If
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