Python scripts for analysing MARTINI simulations of peptide amphiphiles.
Built using python3.8
- Python3 (Tested using python3.8)
- numpy
- mdtraj
- freud (for selective routines) https://freud.readthedocs.io/
You can download and install the package as
git clone https://github.com/stupplab/PAanalysis.git
cd PAanalysis
python setup.py install --user
Read and Run the example script in the example directory as below (no installation is needed to run this)
python example_script.py