Fix score name typo: RM/RM+ -> RW/RW+ (Random-Walk potential)

RM/RM+ were mislabeled as RosettaMembrane; they are the Random-Walk
(RW) / RWplus statistical potential. Rename columns, API/model fields,
frontend table headers, and docs accordingly. Rosetta and RMSD unchanged.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>

backend/app/protein/api/routes/protein.py

@@ -136,8 +136,8 @@ async def get_data(filters: FilterParams):
                 delta_rosetta=_safe_float(getattr(row, "delta_Rosetta", None)),
                 delta_foldx=_safe_float(getattr(row, "delta_FoldX", None)),
                 delta_evoef2=_safe_float(getattr(row, "delta_EvoEF2", None)),
-                delta_rm=_safe_float(getattr(row, "delta_RM", None)),
-                delta_rm_plus=_safe_float(getattr(row, "delta_RM_plus", None)),
+                delta_rw=_safe_float(getattr(row, "delta_RW", None)),
+                delta_rw_plus=_safe_float(getattr(row, "delta_RW_plus", None)),
                 state_id_b=getattr(row, "state_id_B", None) or None,
                 state_fidelity=getattr(row, "state_fidelity", None) or None,
                 avg_sim=getattr(row, "avg_sim", None) or None,

backend/app/protein/data_loader.py

@@ -174,7 +174,7 @@ class DataManager:
                    CAST(e.RMSD AS REAL) AS RMSD,
                    CAST(e.structure_sim AS REAL) AS structure_sim,
                    e."delta_Rosetta", e."delta_FoldX", e."delta_EvoEF2",
-                   e."delta_RM", e."delta_RM+",
+                   e."delta_RW", e."delta_RW+",
                    e.state_id_B, e.state_fidelity, e.avg_sim, e.observation_fidelity
             FROM edge e
             {where_sql}
@@ -189,7 +189,7 @@ class DataManager:
             conn.close()
 
         # Rename columns with special characters so itertuples works cleanly
-        df = df.rename(columns={"delta_RM+": "delta_RM_plus"})
+        df = df.rename(columns={"delta_RW+": "delta_RW_plus"})
 
         df["cluster_id"] = df["TM1"].apply(
             lambda t: _assign_cluster(t) if pd.notna(t) else "cluster_low"

backend/app/protein/models.py

@@ -112,8 +112,8 @@ class DataRecord(BaseModel):
     delta_rosetta: Optional[float] = None
     delta_foldx: Optional[float] = None
     delta_evoef2: Optional[float] = None
-    delta_rm: Optional[float] = None
-    delta_rm_plus: Optional[float] = None
+    delta_rw: Optional[float] = None
+    delta_rw_plus: Optional[float] = None
     # Alternative state similarity fields from edge table
     state_id_b: Optional[str] = None
     state_fidelity: Optional[str] = None

backend/app/protein/tsv_loader.py

@@ -32,7 +32,7 @@ def _load() -> Dict[Tuple[str, str], _Row]:
         cur = conn.cursor()
         cur.execute(
             'SELECT pdb_id, auth_asym_id, base_label, sequence, sequence_length,'
-            '       CATH_ID, cath_superfamily, Rosetta, FoldX, EvoEF2, RM, "RM+", ranked_functions,'
+            '       CATH_ID, cath_superfamily, Rosetta, FoldX, EvoEF2, RW, "RW+", ranked_functions,'
             '       state_id, experimental_method, pH, temp_K'
             ' FROM node'
         )
@@ -50,8 +50,8 @@ def _load() -> Dict[Tuple[str, str], _Row]:
                     "Rosetta": row["Rosetta"] or "",
                     "FoldX": row["FoldX"] or "",
                     "EvoEF2": row["EvoEF2"] or "",
-                    "RM": row["RM"] or "",
-                    "RM+": row["RM+"] or "",
+                    "RW": row["RW"] or "",
+                    "RW+": row["RW+"] or "",
                     "ranked_functions": row["ranked_functions"] or "",
                     "state_id": row["state_id"] or "",
                     "experimental_method": row["experimental_method"] or "",
@@ -87,7 +87,7 @@ def _lookup_node_row(pdb_id: str, auth_asym_id: str) -> Optional[_Row]:
         conn.row_factory = sqlite3.Row
         row = conn.execute(
             'SELECT base_label, sequence, sequence_length, CATH_ID, cath_superfamily,'
-            '       Rosetta, FoldX, EvoEF2, RM, "RM+", ranked_functions,'
+            '       Rosetta, FoldX, EvoEF2, RW, "RW+", ranked_functions,'
             '       state_id, experimental_method, pH, temp_K'
             ' FROM node WHERE LOWER(pdb_id) = ? AND UPPER(auth_asym_id) = ? LIMIT 1',
             (pdb_id.lower(), auth_asym_id.upper()),
@@ -126,7 +126,7 @@ def _parse_float(val: str) -> Optional[float]:
 
 
 def get_energy_scores(pdb_id: str, auth_asym_id: str) -> Optional[Dict[str, Any]]:
-    """Return energy scores (Rosetta, FoldX, EvoEF2, RM, RM+) or None if not found."""
+    """Return energy scores (Rosetta, FoldX, EvoEF2, RW, RW+) or None if not found."""
     row = get_node_row(pdb_id, auth_asym_id)
     if row is None:
         return None
@@ -134,8 +134,8 @@ def get_energy_scores(pdb_id: str, auth_asym_id: str) -> Optional[Dict[str, Any]
         "Rosetta": _parse_float(row.get("Rosetta", "")),
         "FoldX": _parse_float(row.get("FoldX", "")),
         "EvoEF2": _parse_float(row.get("EvoEF2", "")),
-        "RM": _parse_float(row.get("RM", "")),
-        "RM+": _parse_float(row.get("RM+", "")),
+        "RW": _parse_float(row.get("RW", "")),
+        "RW+": _parse_float(row.get("RW+", "")),
     }
 
 

backend/assets/MuSProt_documentation.md

@@ -49,8 +49,8 @@ Each row represents a single protein chain instance (one PDB entry + chain).
 | `Rosetta` | FLOAT | Rosetta total energy score |
 | `FoldX` | FLOAT | FoldX total energy score |
 | `EvoEF2` | FLOAT | EvoEF2 total energy score |
-| `RM` | FLOAT | RosettaMembrane energy score |
-| `RM+` | FLOAT | RosettaMembrane+ energy score |
+| `RW` | FLOAT | Random-Walk (RW) energy score |
+| `RW+` | FLOAT | Random-Walk+ (RWplus) energy score |
 | `ranked_functions` | TEXT | JSON-encoded list of ranked GO/functional annotations |
 
 
@@ -72,8 +72,8 @@ Each row represents a pairwise structural comparison between two chain instances
 | `delta_Rosetta` | FLOAT | Rosetta energy difference (B − A) |
 | `delta_FoldX` | FLOAT | FoldX energy difference (B − A) |
 | `delta_EvoEF2` | FLOAT | EvoEF2 energy difference (B − A) |
-| `delta_RM` | FLOAT | RosettaMembrane energy difference (B − A) |
-| `delta_RM+` | FLOAT | RosettaMembrane+ energy difference (B − A) |
+| `delta_RW` | FLOAT | Random-Walk (RW) energy difference (B − A) |
+| `delta_RW+` | FLOAT | Random-Walk+ (RWplus) energy difference (B − A) |
 | `state_id_A` | TEXT | Conformational state cluster of chain A |
 | `state_id_B` | TEXT | Conformational state cluster of chain B |
 | `avg_sim` | TEXT | Average structural similarity within the state cluster (`>0.95` or a numeric value) |

backend/scripts/generate_node_lookup.py

@@ -9,7 +9,7 @@ from pathlib import Path
 
 NODE_COLUMNS = (
     "pdb_id", "auth_asym_id", "base_label", "sequence", "sequence_length",
-    "CATH_ID", "cath_superfamily", "Rosetta", "FoldX", "EvoEF2", "RM", "RM+",
+    "CATH_ID", "cath_superfamily", "Rosetta", "FoldX", "EvoEF2", "RW", "RW+",
     "ranked_functions", "state_id", "experimental_method", "pH", "temp_K",
 )
 
@@ -30,7 +30,7 @@ def main() -> None:
         conn.execute(
             'CREATE TABLE node (pdb_id, auth_asym_id, base_label, sequence BLOB,'
             ' sequence_length, CATH_ID, cath_superfamily, Rosetta, FoldX, EvoEF2,'
-            ' RM, "RM+", ranked_functions BLOB, state_id, experimental_method, pH, temp_K)'
+            ' RW, "RW+", ranked_functions BLOB, state_id, experimental_method, pH, temp_K)'
         )
         source = sqlite3.connect(f"file:{args.source.resolve()}?mode=ro", uri=True)
         try:

frontend/src/components/datasets/protein/DataTable.tsx

@@ -111,11 +111,11 @@ export const DataTable: React.FC<DataTableProps> = ({ data, loading, total, filt
               <th onClick={() => handleSort('delta_evoef2')}>
                 ΔEvoEF2 {getSortIcon('delta_evoef2')}
               </th>
-              <th onClick={() => handleSort('delta_rm')}>
-                ΔRM {getSortIcon('delta_rm')}
+              <th onClick={() => handleSort('delta_rw')}>
+                ΔRW {getSortIcon('delta_rw')}
               </th>
-              <th onClick={() => handleSort('delta_rm_plus')}>
-                ΔRM+ {getSortIcon('delta_rm_plus')}
+              <th onClick={() => handleSort('delta_rw_plus')}>
+                ΔRW+ {getSortIcon('delta_rw_plus')}
               </th>
               <th onClick={() => handleSort('state_id_b')}>
                 State ID {getSortIcon('state_id_b')}
@@ -154,7 +154,7 @@ export const DataTable: React.FC<DataTableProps> = ({ data, loading, total, filt
                 <td className="numeric">
                   {formatPH(record.pH)}
                 </td>
-                {(['delta_rosetta', 'delta_foldx', 'delta_evoef2', 'delta_rm', 'delta_rm_plus'] as const).map(field => {
+                {(['delta_rosetta', 'delta_foldx', 'delta_evoef2', 'delta_rw', 'delta_rw_plus'] as const).map(field => {
                   const val = record[field];
                   return (
                     <td key={field} className={`numeric delta-cell${val == null ? '' : val > 0 ? ' delta-pos' : val < 0 ? ' delta-neg' : ''}`}>

frontend/src/types/protein.ts

@@ -89,8 +89,8 @@ export interface DataRecord {
   delta_rosetta?: number | null;
   delta_foldx?: number | null;
   delta_evoef2?: number | null;
-  delta_rm?: number | null;
-  delta_rm_plus?: number | null;
+  delta_rw?: number | null;
+  delta_rw_plus?: number | null;
   structure_sim?: number | null;
   // Alternative state similarity fields from edge table
   state_id_b?: string | null;