Showing 3 open source projects for "atom"

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  • 1
    Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
    Downloads: 3 This Week
    Last Update:
    See Project
  • 2
    sdf2xyz2sdf
    An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
    Downloads: 2 This Week
    Last Update:
    See Project
  • 3
    A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.
    Downloads: 0 This Week
    Last Update:
    See Project
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