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  • Language
    Fortran
  • License
    GNU General Publi...
  • Created over 2 years ago
  • Updated over 2 years ago

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Repository Details

Set of FORTRAN codes and script files for the calculation of Spatial Aggregation Propensity (SAP) of proteins (including the effect of buffer histidine on protein structure) from GROMACS MD trajectories. The scripts use GROMACS analysis code gmx to calculate the solvent accessible surface area.