ProLint v2: an optimized tool for the analysis of lipid protein interactions.
Overview
ProLint2 calculates distance-based lipid-protein interactions from molecular dynamics trajectories of membrane protein systems.
Table of contents
Installation
To install prolint2 we recommend creating a new conda environment as follows:
conda create -n prolint2 python=3.8
conda activate prolint2
Then you can install prolint2 via pip:
pip install prolint2
Basic examples:
Using the Prolint2's API:
from prolint2 import Universe
from prolint2.sampledata import GIRKDataSample
GIRK = GIRKDataSample()
u = Universe(GIRK.coordinates, GIRK.trajectory)
contacts = u.compute_contacts(cutoff=7) # cutoff in Angstroms
Using the Prolint2's command-line interface:
prolint2 coordinates.gro trajectory.xtc -c 7
You can find more details on how to use prolint2 in the documentation.
How to contribute?
If you find a bug in the source code, you can help us by submitting an issue here. Even better, you can submit a Pull Request with a fix.
We really appreciate your feedback!
License
Source code included in this project is available under the MIT License.
Copyright
Copyright (c) 2022, Daniel P. Ramirez & Besian I. Sejdiu
Acknowledgements
The respository structure of ProLint2 is based on the Computational Molecular Science Python Cookiecutter version 1.6.
1 maintainer
Metadata
1 maintainer
Release files for prolint2 0.0.20
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| prolint2-0.0.20.tar.gz | 1.3 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| prolint2-0.0.20-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 2.6 MB
Release files / prolint2-0.0.20.tar.gz
| Download URL | prolint2-0.0.20.tar.gz |
|---|---|
| Size | 1.3 MB |
| Tags | Source |
|
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Release files / prolint2-0.0.20-py3-none-any.whl
| Download URL | prolint2-0.0.20-py3-none-any.whl |
|---|---|
| Size | 1.3 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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twine/6.1.0 CPython/3.12.9
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