A toolkit for leaflet-based membrane analysis
The initial code was first used in the below publication. Please cite it if you use this package:
Wilson, K. A.; Wang, L.; Lin, Y. C.; O’Mara, M. L. Investigating the Lipid Fingerprint of SLC6 Neurotransmitter Transporters: A Comparison of DDAT, HDAT, HSERT, and GlyT2. BBA Advances 2021, 1, 100010. doi: 10.1016/j.bbadva.2021.100010
The package is built on MDAnalysis. Please cite its two papers if you use this package:
N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. J. Comput. Chem. 32 (2011), 2319–2327. doi:10.1002/jcc.21787.
R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. MDAnalysis: A Python package for the rapid analysis of molecular dynamics simulations. In S. Benthall and S. Rostrup, editors, Proceedings of the 15th Python in Science Conference, pages 98-105, Austin, TX, 2016. SciPy. doi:10.25080/Majora-629e541a-00e.
A release will be forthcoming. Until then, you can build this from source.
git clone https://github.com/lilyminium/lipyds.git
conda create --name lipyds -c conda-forge cython matplotlib nptyping "numpy>=1.20.0" pandas "scikit-learn>=0.21.0" scipy
conda activate lipyds
cd lipyds
python setup.py installCopyright (c) 2021, Lily Wang