A python package to analyse molecular dynamics simulations of peptides in/with membranes.
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pepNmemb A python-based toolkit to analyse peptide-membrane simulations
Overview
pepNmemb is a set of tools for analysisng the interactions of peptides with bacterial membranes from molecular dynamics simulations. It is build on top of MDanalysis. The current implementation can be used for analysing all-atom simulations only.
Installation
The easiest way to install pepNmemb is using pip
pip install pepNmemb
Basic Usage
Current functionalities include:
peptide insertion analysis
hydrogen bonds with the membrane and other peptides
inter-peptide interactions
peptide tilt angle
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