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Jmol, viewer for chemical structures in 3D

Jmol is a molecule viewer. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems. The JmolApplet is a web browser applet that can be integrated into web pages, the Jmol application is a standalone Java application that runs on the desktop and the JmolViewer is a development tool kit that can be integrated into other Java applications.

Features

  • Free, open-source software licensed under the GNU Lesser General Public License
  • Applet, Application, and Systems Integration Component
  • Multi-language
  • Cross-platform
  • Supports all major web browsers…
  • 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
    • MOLElsevier 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
    • QOUTQ-Chem, Inc.
    • SDFElsevier MDL structure
    • SHELXStructural 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

  • Animations
  • Vibrations
  • Basic support for unit cell and symmetry operations
  • Schematic shapes for secondary structures in biomolecules
  • Measurements
  • Support for RasMol/Chime scripting language
  • JavaScript support library
  • Exports to .jpg, .png, .ppm, .pdf, and PovRay
  • For more details, see the history of development.

Jmol screenshotJmol screenshotJmol screenshot

Manual:

http://biomodel.uah.es/anun/manual-jmol/portada-v1en.jpg

Avogadro, advanced molecular designer

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

* Cross-Platform: Molecular builder/editor for Windows, Linux, and Mac OS X.
* Free (of Freedom): Easy to install and all source code is available under the GNU GPL.
* International: Translations into Chinese, French, German, Italian, Russian, and Spanish, with more languages to come.
* Intuitive: Built to work easily for students and advanced researchers both.
* Fast: Supports multi-threaded rendering and computation.
* Extensible: Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts.
* Flexible: Features include Open Babel import of chemical files, input generation for multiple computational chemistry packages, crystallography, and biomolecules.
* Find out more or contact us

http://avogadro.openmolecules.net/w/images/b/bb/HBondBuilding.png

Kalzium, tabla periódica

Kalzium is an application which will show you some information about the periodic system of the elements.