Apps tagged with 'molecular-dynamics'

All apps in Apps tagged with 'molecular-dynamics' category. Use the filters below to narrow down your search. 
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  1. Jmol icon
     3 likes

    Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems.

    Cost / License

    • Free
    • Open Source

    Platforms

    • Mac
    • Windows
    • Linux
    Acetic acid using CPK colors and spacefilled atoms.
    Display of bounding box and axes of coordinates space. Note the transparency of the yellow halo around selected atoms.
    The electrostatic potential of allene mapped onto a translucent surface
    +2
    An SN2 reaction animation with the distance measured between the chlorine and carbon atoms
    12 alternatives
  2.  2 likes

    LAMMPS ("Large-scale Atomic/Molecular Massively Parallel Simulator") is a molecular dynamics program from Sandia National Laboratories.

    Cost / License

    • Free
    • Open Source

    Platforms

    • Linux
    2 alternatives
  3. VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.

    Cost / License

    • Free
    • Open Source

    Platforms

    • Mac
    • Windows
    • Linux
    VMD - Visual Molecular Dynamics screenshot 1
    VMD - Visual Molecular Dynamics screenshot 1
    VMD - Visual Molecular Dynamics screenshot 2
    8 alternatives
  4.  Like

    AtomEye is atomistic visualization software fast enough to handle output of molecular dynamics simulations with millions of atoms. It includes parallel and perspective projections with full three-dimensional navigation, customizable bond and coordination number calculation...

    Cost / License

    • Free
    • Open Source

    Platforms

    • Linux
    AtomEye screenshot 1
    1 alternatives
  5.  Like

    GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics simulation package originally developed in the University of Groningen.

    Cost / License

    • Free
    • Open Source

    Platforms

    • Linux
    2 alternatives
  6. DL_POLY icon
     Like

    DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the former Computational Chemistry Group at Daresbury...

    Cost / License

    • Free Personal
    • Proprietary

    Platforms

    • Linux
    DL_POLY screenshot 1
    DL_POLY screenshot 1
    2 alternatives
  7. YASARA icon
     Like

    YASARA (Yet Another Scientific Artificial Reality Application) is a molecular-graphics, -modeling and -simulation program for Windows, Linux, MacOS and Android developed since 1993, that finally makes it really easy to answer your questions.

    Cost / License

    • Freemium
    • Proprietary

    Platforms

    • Mac
    • Windows
    • Linux
    • Android