Jmol Code

___version=13.0.2_dev

bug fix: pngj storage of Spartan zip files cannot be read.

Version

Translations

___version=13.0.1

APPLET:
-- a new OOP JavaScript interface (Jmol-JSO)
allowing nonJava options such as ChemDoodle and GLmol
as well as JME/JSpecView connectivity
-- JmolData full "headless" operation for server-side processing

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 ":"

Folding@...

original version works

Jmol-JSO Info.use