PoreSim 0.2
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  • Complex Pore Simulation
  • Simulation 2-Phase
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          • Analyze
    • Analyze
      • Analyze
    Source

    Analyze¶

    class poresim.analyze.Analyze(sim_link, box_link, cluster)¶

    This class creates shell-files for generating shell file for analysing a simulation.

    Parameters:
    sim_linkstring

    Simulation master folder link

    box_linkstring

    Simulation box folder link

    Methods

    extract_mol(step)

    This function extracts molecules of a type from a trajectory for further analysis using MolDyn.

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    © Copyright 2023, Hamzeh Kraus.
    Created using Sphinx 7.4.6.