Thank you, Nico, for releasing Jmol 12.0.15 and 12.1.13. Several bugs fixed
there and a few new features. I haven't given these updates since
12.0.9/12.1.7, so here goes:
Jmol 12.1.13 -- new features:
# new feature: hide/display bonds
# new feature: hide/display [{bond set}]
# new feature: set STRUCTURE HELIX|SHEET|TURN [a, b, c, d, a1, b1, c1,
d1,...]
# allows customization of Jmol's phi/psi-based structure calculation
# phi >= a && phi <= b && psi >= c && psi <= d
# || phi >= a1 && phi <= b1 && psi >= c1 && psi <= d1
# etc.
Jmol 12.1.13-only bug fixes:
# bug fix: new faster Application language changing doesn't set tool tips
Jmol 12.0.15/12.1.13 bug fixes
# bug fix: "smilesString" changed to "_smilesString" and properly set
# bug fix: Application filename for $xxxx not properly set
# bug fix: calculate structure requiring {xxx}
# bug fix: catch without catch(e) causes exception
# bug fix: error writing isosurface color density JVXL file
# bug fix: isolated H atoms when calculating hydrogen bonds causes exception
# bug fix: MEP menu item is using MOLECULAR with default range; should be
using VDW with range ALL
# bug fix: naming a variable after a function name such as "color" should be
allowed
# bug fix: Safari slideZoom issue upon leaving and returning to applet
(mouse MOVE not issued by OS)
# bug fix: Spartan reader not reading INPUT file coord -- adding filter
"INPUT"
# bug fix: switch to String smilesUrlFormat = "
http://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True
";
# bug fix: unbind unknownName unbinds LEFT mouse!
# bug fix: unescaped spaces in load "$ethyl ether" cause fault at NIH.
Jmol 12.1.11:
# new feature: set multipleBondRadiusFactor 0.75
# new feature: set isosurfacePropertySmoothingPower
# 0 (no property smoothing)
# 10 (very strong smoothing)
# 7 (default, same as Jmol 11.8)
# new feature: AppletConsole allows embedding in larger applications
# new feature: smooth on-the-fly language changes in applet and application
# new feature: integrated AppConsole for embedded Jmol -- see
Integration.java
# new feature: multipleBondSpacing
# set multipleBondSpacing = -1 (default, varies with viewing angle)
# set multipleBondSpacing = -0.5 (half that distance; varies with viewing
angle)
# set multipleBondSpacing = 0.35 (positive ==> fixed multiple bond
spacing)
Jmol 12.1.10 -- new features:
# new feature: Spartan reader filter "ESPCHARGES" for ESP charges, if
available, instead of Mulliken charges
# new feature: reset SPIN
# new feature: set slabRange 5.0 -- a zoom-independent slabbing plane
Jmol 12.1.9 -- new features:
# new feature: label %[shape]
# new feature: lcaoCartoons dsp3 (a,b,c,d,e), d2sp3 (a,b,c,d,e,f)
A full list of bug fixes in all recent versions of Jmol can be found in
http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol/src/org/jmol/viewer/Jmol.properties?view=markup
Bob
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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