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  1. gmx_saltbridge gmx_saltbridge Public

    Alternative to the native gmx saltbr Gromacs function for estimating the occurance of salt bridges in peptides and proteins over a simlation trajectory

    Python 3

  2. gmx_wheel_plus gmx_wheel_plus Public

    gmx_wheel+ is a tool for analysing and visualizing the orientation of helical antimicobial peptides based on molecular dynamics simulations

    Python 1

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    Jupyter Notebook