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    Cristina
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    Molden is a free molecular visualization program written by G. Schaftenaar that can read output files from quantum chemistry programs and display molecular orbitals, electron densities, and reaction paths. It has a z-matrix editor to build and manipulate structures and can output graphical representations of molecules in different formats. Over 3000 academics have registered to use Molden since its initial release in 1997.

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    Molden is a free molecular visualization program written by G. Schaftenaar that can read output files from quantum chemistry programs and display molecular orbitals, electron densities, and reaction paths. It has a z-matrix editor to build and manipulate structures and can output graphical representations of molecules in different formats. Over 3000 academics have registered to use Molden since its initial release in 1997.

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    40 views12 pages

    Mold en

    Uploaded by

    Cristina
    Molden is a free molecular visualization program written by G. Schaftenaar that can read output files from quantum chemistry programs and display molecular orbitals, electron densities, and reaction paths. It has a z-matrix editor to build and manipulate structures and can output graphical representations of molecules in different formats. Over 3000 academics have registered to use Molden since its initial release in 1997.

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    of 12

    MOLDEN

    Cristina Scripcaru
    1r Química UdG, curs 2008/09
    u1902111@correu.udg.edu
    Molden is a free visualization program
    for molecular structures, written by
    G. Schaftenaar.
    Revision History
     March 97 - First b18 distribution , version 3.2
     July 97 - Revised README, new revision of version
    3.2 compiled
     April 98 - Revised help file, new version 3.3,
    CygWin B19.1 and EGCS 1.02 compilers used,
    performance improvements
     August 98 - New version 3.4 from August 1998,
    CygWin B19.3 and PGCC 1.03 compilers used,
    again performance improvements on Pentium
    and Pentium Pro machines.
     November 99 - New version 3.6
     Februari 2000 - New version 3.6 , CygWin B20
    and gcc2.95.2
     November 2000 - New version 3.7 , CygWin B20
    and gcc2.95.2
    MAJOR FEATURES
     Reads output from the ab initio
    packages Gamess (US) and Gaussian
    and from semi-empirical packages
    such asMOPAC, and supports a
    number of other formats.
     Displays molecular orbitals or electron
    density as contour plots or 3D grid
    plots and output to a number of
    graphical formats.
     Animates reaction paths and
    Molecular Builder/Editor
    The Z-Matrix Editor
    The Z-Matrix Editor in molden lets the user
    create and/or manipulate stuctures on screen.
    Additional helper applications may be used to
    optimise the stuctures on a force field level.
    MOLDEN VRML
    MOLDEN VRML
    Cytosine DMA
    Electrostatic Potential
    mapped
    MOLDEN VRML
    Spindensity: Alpha
    Density Minus Beta
    Density
    MOLDEN VRML
    Electrostatic
    potential color
    coded on an
    isodensity surface
    Roundup
     Molden is free for the academia
     3000 registered users
    Bibliography
     http://www.cmbi.kun.nl/~schaft/
    molden/molden.html
     http://www.cmbi.kun.nl/~schaft/
    molden/moldenservice.html

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