Jmol 13.0 was released Aug 22, 2012
Written for Jmol by Nicolas Vervelle on 2012-08-23
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 web page visitors), 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://
APPLET:
-- a new OOP JavaScript interface (Jmol-JSO)
allowing nonJava options such as ChemDoodle and GLmol
as well as JME/JSpecView connectivity (see
http://
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://
-- 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/
-- write MOL adds partial charge data as > <JMOL_PARTIAL_
-- 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 ":"
