HyresBuilder


NameHyresBuilder JSON
Version 2.3.2 PyPI version JSON
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home_pagehttps://github.com/wayuer19/HyresBuilder
SummaryCreate HyRes peptide PDB files with specified geometry
upload_time2024-03-11 14:36:19
maintainer
docs_urlNone
authorShanlong Li
requires_python
license
keywords
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bugtrack_url
requirements No requirements were recorded.
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            # 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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