338 Database entries


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OS: Linux, Windows, Mac

License: Freeware. GPL


Applet, Application, and Systems Integration Component
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.
The Jmol application is a standalone Java application that runs on the desktop.
The JmolViewer can be integrated as a component into other Java applications.

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.
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 Gttingen (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

Basic support for unit cell and symmetry operations
Schematic shapes for secondary structures in biomolecules

torsion angle

Support for RasMol/Chime scripting language
JavaScript support library
Exports to .jpg, .png, .ppm, .pdf, and PovRay