Metadata-Version: 2.1
Name: HyresBuilder
Version: 2.3.3
Summary: Create HyRes peptide PDB files with specified geometry
Home-page: https://github.com/wayuer19/HyresBuilder
Download-URL: https://github.com/wayuer19/HyresBuilder/releases
Author: Shanlong Li
Author-email: shanlongli@umass.edu
Platform: Tested on Ubuntu 22.04
Classifier: Development Status :: 5 - Production/Stable
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: Biopython
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Requires-Dist: coverage; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: collective.checkdocs; extra == "test"
Requires-Dist: pygments; extra == "test"
Requires-Dist: Biopython; extra == "test"

# HyresBuilder: A simple package for building HyRes peptide model.   
This package is forked from [PeptideBuilder](https://github.com/clauswilke/PeptideBuilder) and we do some modifications for HyRes.   
Thanks for the contribution of PeptideBuilder.    
Shanlong Li    

## Installation:   
pip install HyresBuilder


## Basic usage:   
This package builds HyRes peptide structure from sequence. Please see the [examples](examples) for details.   
To obtain psf file and further run simulation on OpenMM, please follow these [instructions](https://github.com/wayuer19/HyRes_GPU).   
>[!NOTE]
>After obtaining the pdb files, the initial structures need to be relaxed to get more reasonable state.   
