TW-DTI / DEV /convert.py
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from utils.foldseek_util import get_struc_seq
pdb_path = "output_structure.pdb"
# Extract the "A" chain from the pdb file and encode it into a struc_seq
# pLDDT is used to mask low-confidence regions if "plddt_mask" is True. Please set it to True when
# use AF2 structures for best performance.
parsed_seqs = get_struc_seq("foldseek", pdb_path, ["A"], plddt_mask=False)["A"]
seq, foldseek_seq, combined_seq = parsed_seqs
print(f"seq: {seq}")
print(f"foldseek_seq: {foldseek_seq}")
print(f"combined_seq: {combined_seq}")