Create HyRes peptide PDB files with specified geometry
Project description
HyresBuilder: A simple package for building HyRes peptide model.
This package is forked from 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 for details.
To obtain psf file and further run simulation on OpenMM, please follow these instructions.
[!NOTE] After obtaining the pdb files, the initial structures need to be relaxed to get more reasonable state.
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