Jmol is an applet and Java based application designed to display various 3D chemical information.
Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs
Here are some key features of "Jmol":
· High-performance 3D rendering with no hardware requirements
File formats (see also file formats section within Jmol Wiki):
· CIF/mmCIF - Crystallographic Information File and Macromolecular Crystallographic Information File, the standards from the International Union of Crystallography
· CML - Chemical Markup Language
· CSF - Fujitsu CAChe chemical structure, now Fujitsu Sygress
· CTFile - Elsevier MDL chemical table
· GAMESS - General Atomic and Molecular Electronic Structure System output, Gordon Research Group, Iowa State University
· Gaussian 94/98/03 output - Gaussian, Inc.
· Ghemical
· HIN - HyperChem from Hypercube, Inc.
· Jaguar - Schrodinger, LLC
· MM1GP - Ghemical molecular mechanics
· MOL - Elsevier MDL structure
· MOLPRO - Molpro output
· MOPAC - MOPAC 93/97/2002 output (public domain)
· - MOPAC 2007 (v.7.101) graphf output (.mgf files) (public domain)
· NWCHEM - NWChem output, Pacific Northwest National Laboratory
· odydata - Odyssey data, WaveFunction, Inc.
· PDB - Protein Data Bank, Research Collaboratory for Structural Bioinformatics
· QOUT - Q-Chem, Inc.
· SDF - Elsevier MDL structure
· SHELX - Structural Chemistry Department, University of Göttingen (Germany)
· SMOL - Spartan data, Wavefunction, Inc.
· spinput - Spartan data, Wavefunction, Inc.
· xodydata - Odyssey XML data, WaveFunction, Inc.
· XYZ - Minnesota Supercomputer Institute XMol file
· XYZ+vib - XYZ format files with added vibrational vector information
· XYZ-FAH - Folding@home XYZ file
· * Files which are compressed with gzip will automatically be decompressed
· Animations
· Vibrations
· Basic support for unit cell and symmetry operations
· Schematic shapes for secondary structures in biomolecules
· Measurements
· distance
· angle
· torsion angle
· Support for RasMol/Chime scripting language
· JavaScript support library
· Exports to .jpg, .png, .ppm, .pdf, and PovRay
Requirements:
· Java Runtime Environment
What's New in This Release: [ read full changelog ]
· bug fix: /** comment ending line can cause odd error
· bug fix: set xxxx n where n is an integer fails.
· bug fix: GAMESS reader not properly assigning MOs
· code: better .stddev calculation
· new feature: a = [] note that a+=2 then produces [2] -- "a+=" similar to JavaScript a.push(2)
· bug fix: a="test";a[1] = "b" not working
· bug fix: {atomExpression}.min, .max
· new feature: merging of label() and format() functions -- same in all respects.
