OpenPD, standing for Open Peptide Dynamics, is a python package for peptide dynamics simulation
Project description
OpenPD: Opened Peptide Dynamics package
Introduction
OpenPD, standing for Open Peptide Dynamics, is a python package, distributed freely under the terms of GNU Public License Version 3 (GPLv3), for peptide dynamics simulation. It was designed to simulate the folding dynamics of protein efficiently with the assistance of Peptide Dynamics Force Field (PDFF), which is a solvent considered, high-level coarse-grained force field focusing on the peptide interaction.
OpenPD is developed and maintained by Zhenyu Wei (zhenyuwei99@gmail.com), from Yunfei Chen's group in Southeast University. As a newly developed program, we always welcome developers to contact us.
The OpenPD distribution includes following files and folders:
| Name | Description |
|---|---|
| README | This file |
| LICENSE | MIT License |
| docs | Documentation |
| openpd | Source code of openpd python module |
| tutorials | Folder contains tutorial notebook |
| setup.py | Build script for setuptools |
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To get more information, please check out the project documentation.
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