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Ion Simulator Interface

eagle-i ID

http://shared.eagle-i.net/i/0000013a-2d18-ffa0-e36c-637980000000

Resource Type

  1. Software

Properties

  1. Resource Description
    SimTK ISIM interface a simple Java graphical user interface for running the program ISIM. ISIM is package that simulates the thermodynamic ensemble of ions around a macromolecule using a grand canonical Monte Carlo scheme and simple hard sphere ion models. It is meant to provide an alternative mechanism to mean field approaches to allow the calculation of ion distributions around a highly charged molecule using a simple model that takes into account ion-ion correlations and steric interactions. The original source was created in the McCammon group at UCSD (http://mccammon.ucsd.edu/isim/). The version of ISIM used is available in the ISIM project on simtk.org. Keywords: grand canonical ensemble, monte carlo
  2. Contact
    Bruns, Christopher
  3. Contact
    Engelhardt, Mark
  4. Used by
    Howard Hughes Medical Institute
  5. Operating System
    Any
  6. Website(s)
    https://simtk.org/home/isim_interface
  7. Coded in
    Java
 
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