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Update app.py
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app.py
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@@ -731,6 +731,9 @@ def visualize_attention_and_ranges(
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# βββββ Gradio callbacks βββββββββββββββββββββββββββββββββββββββββ
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def extract_aa_seq_cb(structure_file, protein_text):
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"""
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Extract plain amino acid sequence from uploaded PDB/mmCIF.
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<ol style="font-size:1rem;line-height:1.6;margin-left:22px;">
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<li>
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<strong>Input formats:</strong>
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The
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For
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</li>
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<li>
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<strong>Interaction
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(e.g.,
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to visualise
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</li>
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<li>
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<strong>
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The
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</li>
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</ol>
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""")
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# βββββ Gradio callbacks βββββββββββββββββββββββββββββββββββββββββ
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ROOT = os.path.dirname(os.path.abspath(__file__))
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FOLDSEEK_BIN = os.path.join(ROOT, "utils", "foldseek")
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def extract_aa_seq_cb(structure_file, protein_text):
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"""
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Extract plain amino acid sequence from uploaded PDB/mmCIF.
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<ol style="font-size:1rem;line-height:1.6;margin-left:22px;">
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<li>
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<strong>Input formats:</strong>
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The system supports either <em>structure-aware (SA)</em> sequences derived from
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protein structures or conventional <em>FASTA</em> sequences.
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For structure-based analysis, users may upload <code>.pdb</code> or
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<code>.cif</code> files to extract the corresponding sequence representation.
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Ligands can be provided in <em>SMILES</em> or <em>SELFIES</em> format.
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</li>
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<li>
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<strong>Interaction channel selection:</strong>
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Users may select a specific non-covalent interaction type
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(e.g., hydrogen bonding, hydrophobic interactions) or the
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overall interaction channel to visualise the corresponding
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token-level binding patterns.
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</li>
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<li>
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<strong>Model outputs:</strong>
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The system reports (i) a predicted binding probability for the
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proteinβligand pair, (ii) a ranked Top-K residue table, and (iii) a token-level interaction
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heat map illustrating spatial interaction patterns.
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</li>
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</ol>
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""")
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