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MUSCLE-3D: State-of-the-art multiple structure alignment
MUSCLE v5.3+ supports Multiple Structure Alignment (MStA).
 
Input for structure alignment is a "mega" file generated by the pdb2mega command of Reseek.
# for up to ~100 structures
reseek -pdb2mega STRUCTS -output structs.mega
muscle -align structs.mega -output structs.afa

# for up to ~10,000 structures
reseek -convert STRUCTS -bca structs.bca
reseek -pdb2mega structs.bca -output structs.mega
reseek -distmx structs.bca -output structs.distmx
muscle -super7 structs.mega -distmxin structs.distmx -reseek -output structs.afa
Paper
Edgar, Robert C., and Igor Tolstoy. "Muscle-3D: scalable multiple protein structure alignment"
📝 bioRxiv (2024): 2024-10
1sco
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