Nico has started releasing release candidates for Jmol 13.0. Therefor:
1) Please test! If you are using Jmol 12.3, please download 13.0.RCx and
give it a work out. I would like to release it the first week of August.
2) If you are using Jmol 12.2, realize that bug fixes have stopped on Jmol
12.2. Time to move on....
Several new features prompted the major version change. These include,
among others,
# -- a new OOP JavaScript interface allowing nonJava options and
JME/JSpecView connectivity
# -- MMFF94/UFF minimization and energy calculation
# -- integration of JSpecView into Jmol, including 2D spectral display and
manipulation
# -- reading of JCAMP-DX files having structure/spectra assignment data
# ##$MODELS and ##$PEAKS (see
http://chemapps.stolaf.edu/jmol/docs/examples-12/jspecview)
# -- multiple-scene PNGJ files allowing minimal or full data loading and
scripted animations
# -- write PNGJ files encapsulate all model file data into one PNG file
# -- extended Jmol SMARTS searching
# -- show CHEMICAL
# -- show NMR
# -- solid state physics support
# -- MolecularPlayground -- remote status and remote control
# -- COMPARE command
# -- JmolData full "headless" operation for server-side processing
# -- PubChem search for name (which can be a CAS number), cid, or SMILES
using ":"
# -- isosurface caching
# -- write ... "http://....."; POSTs JMOL or IMAGE or structure to a server
as application/octet-stream
No doubt a few more features will be added in the next couple of weeks, but
I hope to keep that to a minimum. Suggestions welcome.
Bob
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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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