Jmol 13.0 released

Jmol 13.0 was released Aug 22, 2012. This major release brings to the stable release several very important new features in Jmol developed over the past year.

With well over 500,000 full application downloads (that is, distinct binary downloads by application users or developers, not simple applet downloads by users), full server-side Java support for non-Java (iPhone/iPad) or non-applet (Android) mobile devices, and a completely new JavaScript interface, Jmol is well-positioned for the next phase of development of a high-level scripted high-functional HTML5/WebGL user interface.

New features (see http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm\) include:

APPLET:
-- a new OOP JavaScript interface (Jmol-JSO)
allowing nonJava options such as ChemDoodle and GLmol
as well as JME/JSpecView connectivity (see http://wiki.jmol.org/index.php/Jmol_Javascript_Object\) to be seamlessly integrated into a web page in a platform-aware manner.
-- JmolData full "headless" operation for server-side processing allowing image-creation, server processing, and remote cross-domain sourcing for the unsigned applet and applet surrogates such as ChemDoodle and GLmol.

BIOPHYSICS:
-- COMPARE command

FILE READING:
-- reading of JCAMP-DX files having structure/spectra assignment data
using ##$MODELS and ##$PEAKS (see http://chemapps.stolaf.edu/jmol/jspecview\)
-- Gaussian log reading of Natural Transition Orbitals
-- automatic PNGJ file caching for immensely faster loading of PNGJ files from remote servers

FILE WRITING:
-- write PNGJ files encapsulate all model file data into one PNG file
-- write image 400 400 PNGJ "http://....." POSTs JMOL or IMAGE or structure to a server as application/octet-stream
-- write MOL adds partial charge data as > <JMOL_PARTIAL_CHARGES> in SDF format
-- multiple-scene PNGJ files allowing minimal or full data loading and scripted animations

ISOSURFACES:
-- isosurface caching
-- isosurface MOVE [[...matrix4f...]] moves/rotates an isosurface (for the state)

MINIMIZATION:
-- MMFF94/UFF minimization and energy calculation

MOLECULAR DATA:
-- show CHEMICAL
-- show NMR

MOLECULAR PLAYGROUND:
-- MolecularPlayground -- remote status and remote control

SOLID-STATE PHYSICS:
-- solid state physics support

SPECTROSCOPY:
-- integration of JSpecView into Jmol, including 2D spectral display and manipulation

STRUCTURE SEARCHING:
-- extended Jmol SMARTS searching
-- PubChem search for name (which can be a CAS number), cid, or SMILES using ":"

Posted by Bob Hanson 2012-08-23