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    Jmol 11.9.4

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    Downloads: 5,612  Add to download basket  Tell us about an update
    User Rating:
    Rated by:
    Good (3.0/5)
    35 user(s)
    Developer:

    License / Price:

    Size / OS:

    Last Updated:

    Category:
    Egon Willighagen | More programs
    Freeware / FREE
    14.8 MB / Windows All
    September 18th, 2009, 05:49 GMT [view history]
    C: \ Science / CAD

     Read user reviews (0)  Add a review  Refer to a friend  Subscribe

     

    Jmol description

     

    An applet and Java based application designed to display various 3D chemical information.

    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.

     Softpedia guarantees that Jmol 11.9.4 is 100% FREE, which means it does not contain any form of malware, including spyware, viruses, trojans and backdoors. [read more >]


    TAGS:

    quantum chemistry | 3D viewer | 3D chemical information | chemistry | chemical | 3D



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