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A python package to analyse molecular dynamics simulations of peptides in/with membranes.

Project description

pepNmemb

pepNmemb allows you to analyse the interactions of peptides with bacterial membranes from molecular dynamics simulations.

Current functionalities:

  • calculate peptide insertion into the membrane over time
  • hydrogen bonds with the membrane and other peptides
  • inter-peptide interactions
  • peptide tilt angle
  • membrane lipid apl

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