# 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.
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