Mark liability residues magenta in the sequence tracks (match 3D)

app.py

@@ -359,21 +359,31 @@ def format_flags(flags, h3_len, ok):
 
 
 # -------------------------------------------------------------------- viewer
-# Per-residue colors for the clickable sequence tracks (CDRs reuse the 3D colors).
+# Per-residue colors for the clickable sequence tracks (CDRs reuse the 3D colors;
+# "liab" is the same magenta as the liability sticks on the structure).
 TRACK_COLORS = {
     "H1": CDR_COLORS["H"]["1"], "H2": CDR_COLORS["H"]["2"], "H3": CDR_COLORS["H"]["3"],
     "L1": CDR_COLORS["L"]["1"], "L2": CDR_COLORS["L"]["2"], "L3": CDR_COLORS["L"]["3"],
-    "fw": "#eceff1",
+    "liab": "#ff00ff", "fw": "#eceff1",
 }
 
 
-def build_track(chain_label: str, residues):
+def build_track(chain_label: str, residues, liab_imgts=()):
     """Numbered residues -> (HighlightedText tokens, index->imgt map).
-    Each residue is its own token (combine_adjacent=False) so it clicks individually."""
+    Each residue is its own token (combine_adjacent=False) so it clicks individually.
+    Liability residues (same set shown as magenta sticks in 3D) are tagged 'liab'
+    so they read magenta in the sequence, matching the structure."""
     tokens, idxmap = [], []
+    liab = set(liab_imgts)
     for imgt, _ins, aa in residues:
         cdr = cdr_of(imgt)
-        tokens.append((aa, f"{chain_label}{cdr}" if cdr else "fw"))
+        if imgt in liab:
+            cat = "liab"
+        elif cdr:
+            cat = f"{chain_label}{cdr}"
+        else:
+            cat = "fw"
+        tokens.append((aa, cat))
         idxmap.append(imgt)
     return tokens, idxmap
 
@@ -511,8 +521,8 @@ def fold(heavy: str, light: str):
               f"CDRs highlighted (H: yellow/orange/red, L: cyan/blue).")
     flags_md = format_flags(flags, h3_len, ok)
 
-    h_tokens, h_idx = build_track("H", number_chain(heavy) or [])
-    l_tokens, l_idx = build_track("L", number_chain(light) or [])
+    h_tokens, h_idx = build_track("H", number_chain(heavy) or [], highlights.get("H", []))
+    l_tokens, l_idx = build_track("L", number_chain(light) or [], highlights.get("L", []))
     idxmap = {"H": h_idx, "L": l_idx}
     payload = build_payload(pdb, highlights)  # -> client-side viewer via .change bridge
     return (status, flags_md, "myabs_fold.pdb", payload,
@@ -582,7 +592,8 @@ with gr.Blocks(title="MyAbs") as demo:  # theme moved to launch() in Gradio 6
             )
             gr.Markdown(
                 "**Click a residue below to highlight it on the structure (lime stick).** "
-                "Click it again to remove it. CDR residues are pre-colored."
+                "Click it again to remove it. CDR residues are pre-colored; "
+                "**liability residues are magenta** (same as the sticks in 3D)."
             )
             h_track = gr.HighlightedText(label="Heavy chain (VH)", combine_adjacent=False,
                                          show_legend=False, color_map=TRACK_COLORS)