Jmol is a Java molecular viewer for three-dimensional chemical structures. 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.
* Free, open-source software licensed under the GNU Lesser General Public License
* Applet, Application, and Systems Integration Component
o The JmolApplet is a web browser applet that can be integrated into web pages. It is ideal for development of web-based courseware and web-accessible chemical databases. The JmolApplet provides an upgrade path for users of the Chime plug-in.
o The Jmol application is a standalone Java application that runs on the desktop.
o The JmolViewer can be integrated as a component into other Java applications.
o Translated into multiple languages: Catalan (ca), Chinese (both zh_CN and zh_TW) Czech (cs), Dutch (nl), French (fr), German (de), Hungarian (hu), Italian (it), Korean (ko), Portuguese - Brazil (pt_BR), Spanish (es), Turkish (tr), (in addition to the native American English, en-US, and British English, en-GB).
o Automatically adopts the language of the user's operating system, if it is among the translations available. You can change to another language if desired.
o For up-to-date details or instructions for adding your language, see the Wiki.
o Mac OS X
o Linux / Unix
* Supports all major web browsers: Internet Explorer, Mozilla and Firefox, Safari, Google Chrome, Opera, Konqueror, IceWeasel, ...
* High-performance 3D rendering with no hardware requirements
* File formats (see also the file formats section within Jmol Wiki):
MOL MDL / Elsevier / Symyx structure (classic version V2000)
V3000 MDL / Elsevier / Symyx structure (new version V3000)
SDF MDL / Elsevier / Symyx structure (multiple models)
CTFile MDL / Elsevier / Symyx chemical table (generic)
CIF Crystallographic Information File - standard from the International Union of Crystallography
mmCIF Macromolecular Crystallographic Information File - standard from the International Union of Crystallography
CML Chemical Markup Language
PDB Protein Data Bank - Research Collaboratory for Structural Bioinformatics
XYZ XYZ format, XMol file - Minnesota Supercomputer Institute
XYZ+vib XYZ format with added vibrational vector information
XYZ-FAH XYZ format for Folding@home
MOL2 Sybyl, Tripos
CSF Fujitsu CAChe chemical structure, now Fujitsu Sygress
GAMESS General Atomic and Molecular Electronic Structure System output (both US and UK variants) - Gordon Research Group, Iowa State University
Gaussian Gaussian 94/98/03 output - Gaussian, Inc.
Cube Gaussian, Inc.
Ghemical The Ghemical computational chemistry package
MM1GP Ghemical molecular mechanics file
HIN HIN / HIV files from HyperChem - Hypercube, Inc.
Jaguar Schrodinger, LLC
MOLPRO Molpro output
MOPAC MOPAC 93/97/2002 output (public domain)
MGF MOPAC 2007 (v.7.101) graphf output (public domain)
NWCHEM NWChem output - Pacific Northwest National Laboratory
odydata Odyssey data - WaveFunction, Inc.
xodydata Odyssey XML data - WaveFunction, Inc.
QOUT Q-Chem, Inc.
SHELX Structural Chemistry Department, University of Gttingen (Germany)
SMOL Spartan data - Wavefunction, Inc.
spinput Spartan data - Wavefunction, Inc.
GRO Gromos87 format from GROMACS
PQR Modified pdb format including charge and radius
Amber The Amber package of molecular simulation programs
JME Java Molecular Editor - Peter Ertl
CASTEP The CASTEP software package, uses density functional theory
FHI-aims Full-potential / all-electron electronic structure theory with local orbitals - Fritz-Haber-Institut der Max-Planck-Gesellschaft
VASP VASP / VAMP / Vienna ab-initio simulation package
DGrid Miroslav Kohout, Max-Planck Institute
ADF ADF output - Amsterdam Density Functional
XSD Accelrys Materials Studio
AMPAC AMPAC output - Semichem, Inc.
WebMO WebMO interface to computational chemistry packages
Molden Electron density / molecular orbitals
PSI3 Output files from the PSI3 suite of quantum chemical programs
CRYSTAL Output files from CRYSTAL, a computational tool for solid state chemistry and physics. Theoretical Chemistry Group, Univ. Torino, Italy.
* Files which are compressed with gzip will automatically be decompressed
* Support for unit cell and symmetry operations
* Schematic shapes for secondary structures in biomolecules
o torsion angle
* Support for RasMol/Chime scripting language
* Exports to jpg, png, gif, ppm, pdf, POV-Ray, Gaussian, Maya, vrml, x3d, idtf, web page.
* For more details, see the history of development.
Java Runtime Environment