Yu-Yuan (Stuart) Yang yuyuan871111

Google Summer of Code 2025 Final Report - MDAnalysis x ProLIF Project 5: H-Bond interactions from implicit hydrogens

Contributor: Yu-Yuan (Stuart) Yang (@yuyuan871111)
Mentors: Cédric Bouysset (@cbouy, @cbouysset), Valerij Talagayev (@talagayev)
Organization: MDAnalysis

Install the Rails gem if you haven't done so before

	#!/usr/bin/env python

	# Sequence-based structural alignment of two proteins.
	# source from: https://gist.github.com/JoaoRodrigues/e3a4f2139d10888c679eb1657a4d7080
	# modified by Yu-Yuan Yang
	import argparse
	import pathlib

	from Bio.Align import PairwiseAligner, substitution_matrices
	from Bio.Data.PDBData import protein_letters_3to1 as aa3to1