Spaces:
Running
Auto-opening Structure tab: name a protein, see it fold
Browse filesSay "I want to engineer MC1R" and its 3-D structure now appears on the Bench
while Turing keeps working — no click, no wait.
- New fold_structure agent tool (dee/core/agent_tools.py) resolving a named
protein to its PUBLIC AlphaFold-DB model via the existing
resolve.resolve_uniprot(). The system prompt tells Turing to call it
proactively the moment the user names their target.
- New Structure tab + view on the Bench, first in the tab order, mounting the
existing resilient Mol* loader (mountAlphaFoldViewer) — so it inherits the
EBI-outage retry ladder and version fallback already built there.
- assistant.js relays the tool result to the parent app by postMessage;
TDStructure receives it (origin-checked) and mounts.
PRIVACY — the reason this is split the way it is: fold_structure sends ONLY
the gene symbol + organism to UniProt and returns a public precomputed model,
so nothing of the user's leaves the engine and it's safe to fire automatically.
De-novo folding of a user's own VARIANT would POST their sequence to a third
party (ESMFold), so it is deliberately NOT reachable from this tool and stays
the existing explicit, separately-consented action. The tool takes no
'sequence' parameter at all, and a test asserts that.
TDStructure hard-allowlists alphafold.ebi.ac.uk before handing any URL to the
loader, since it's reachable via postMessage.
Also fixes a real deep-link bug found while verifying: booting straight onto
#turing (the landing's "Meet Turing" link) ran showRoute BEFORE the TDBench
IIFE defined window.TDBench, so the "open a conversation, not a cold chat"
intercept silently no-opped and rendered the standalone chat anyway. Corrected
on the next tick, after boot routing settles.
469 tests green (4 new), verified end-to-end in the browser with the real
MC1R model rendering, no console errors.
- dee/core/agent.py +9 -3
- dee/core/agent_tools.py +76 -0
- dee/static/app.css +22 -0
- dee/static/app.js +102 -2
- dee/static/assistant.js +24 -0
- dee/static/index.html +31 -2
- tests/test_fold_structure_tool.py +58 -0
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@@ -139,13 +139,19 @@ _SYSTEM_PROMPT_TEMPLATE = (
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"You are Turing, the conversational orchestrator for TuringDNA, a "
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"directed-evolution workbench (design variant libraries with ESM-2, "
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"build/map plasmids, edit with CRISPR, learn from bench results). "
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-
"Current loop phase: {phase}. You have
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-
"fetch_sequence, design_crispr_guides, design_primers, "
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"design_variant_library, and recommend_promoter. If a request could be "
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"answered by calling one "
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"of these, call it — do not describe what you would do, and do not "
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"answer a design/analysis question from your own knowledge instead of "
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-
"running the real tool.
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"accession instead of pasting a sequence (e.g. \"human GFP\", "
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"\"NM_001301717\"), call fetch_sequence first to resolve it, then feed "
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"the sequence it returns into whichever design tool the request "
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"You are Turing, the conversational orchestrator for TuringDNA, a "
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"directed-evolution workbench (design variant libraries with ESM-2, "
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"build/map plasmids, edit with CRISPR, learn from bench results). "
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+
"Current loop phase: {phase}. You have six tools available right now: "
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"fetch_sequence, fold_structure, design_crispr_guides, design_primers, "
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"design_variant_library, and recommend_promoter. If a request could be "
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"answered by calling one "
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"of these, call it — do not describe what you would do, and do not "
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"answer a design/analysis question from your own knowledge instead of "
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"running the real tool. As soon as the user names the protein they want "
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"to work on (human or mouse), ALSO call fold_structure for it — it is a "
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"fast public AlphaFold-DB lookup that puts the 3-D structure on their "
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"Bench while you keep working, and it sends only the gene symbol, never "
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"a sequence. Do this once per protein, alongside whatever else the "
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"request needs; don't announce it as a separate step or ask permission. "
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"If the user names a gene, protein, or "
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"accession instead of pasting a sequence (e.g. \"human GFP\", "
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"\"NM_001301717\"), call fetch_sequence first to resolve it, then feed "
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"the sequence it returns into whichever design tool the request "
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@@ -73,6 +73,46 @@ def _tool_fetch_sequence(args: Dict[str, Any]) -> Dict[str, Any]:
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}
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def _tool_design_crispr_guides(args: Dict[str, Any]) -> Dict[str, Any]:
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from dee.core.crispr import find_guides
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@@ -404,6 +444,7 @@ def _tool_recommend_promoter(args: Dict[str, Any]) -> Dict[str, Any]:
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# anonymous-trial quota /api/agent/step itself is gated by.
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_TOOLS: Dict[str, Dict[str, Any]] = {
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"fetch_sequence": {"fn": _tool_fetch_sequence, "requires_signin": True},
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"design_crispr_guides": {"fn": _tool_design_crispr_guides, "requires_signin": True},
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"design_primers": {"fn": _tool_design_primers, "requires_signin": True},
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"design_variant_library": {"fn": _tool_design_variant_library, "requires_signin": True},
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@@ -445,6 +486,41 @@ TOOL_SPECS: List[Dict[str, Any]] = [
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},
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},
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},
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{
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"type": "function",
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"function": {
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}
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+
def _tool_fold_structure(args: Dict[str, Any]) -> Dict[str, Any]:
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"""Resolve a named protein to its AlphaFold-DB predicted structure so the
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+
Bench can show it the moment the user says what they're engineering.
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+
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PRIVACY, deliberately: this only ever sends (gene_symbol, organism) to
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+
UniProt — never a sequence. The returned AlphaFold URL is a PUBLIC,
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precomputed model fetched straight by the browser, so nothing of the
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user's leaves the Space to get a wild-type structure on screen. De-novo
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+
folding of a user's own VARIANT is a different thing entirely: it means
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+
POSTing their amino-acid sequence to a third party (ESMFold /
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+
api.esmatlas.com), so that stays an explicit, separately-consented
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client-side action and is intentionally NOT reachable from this tool.
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"""
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from dee.core import resolve as _resolve
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gene = str(args.get("gene_symbol") or "").strip()
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organism = str(args.get("organism") or "").lower().strip()
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if not gene:
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return {"ok": False, "error": "missing 'gene_symbol'"}
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if organism not in ("human", "mouse"):
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return {"ok": False,
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"error": "AlphaFold lookup needs 'organism' set to human or mouse."}
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+
try:
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result = _resolve.resolve_uniprot(organism, gene)
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except Exception: # noqa: BLE001
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logger.exception("fold_structure uniprot resolve failed")
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return {"ok": False, "error": "Structure lookup failed — try again shortly."}
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if not result.get("ok"):
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return {"ok": False, "error": result.get("error") or "No structure found."}
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return {
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"ok": True,
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"gene_symbol": gene,
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"organism": organism,
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"uniprot": result.get("uniprot", ""),
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"alphafold_url": result.get("alphafold_url", ""),
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"alphafold_page": result.get("alphafold_page", ""),
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"source": "AlphaFold DB",
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}
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def _tool_design_crispr_guides(args: Dict[str, Any]) -> Dict[str, Any]:
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| 117 |
from dee.core.crispr import find_guides
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| 118 |
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| 444 |
# anonymous-trial quota /api/agent/step itself is gated by.
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| 445 |
_TOOLS: Dict[str, Dict[str, Any]] = {
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| 446 |
"fetch_sequence": {"fn": _tool_fetch_sequence, "requires_signin": True},
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+
"fold_structure": {"fn": _tool_fold_structure, "requires_signin": True},
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"design_crispr_guides": {"fn": _tool_design_crispr_guides, "requires_signin": True},
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"design_primers": {"fn": _tool_design_primers, "requires_signin": True},
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"design_variant_library": {"fn": _tool_design_variant_library, "requires_signin": True},
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| 486 |
},
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| 487 |
},
|
| 488 |
},
|
| 489 |
+
{
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| 490 |
+
"type": "function",
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| 491 |
+
"function": {
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| 492 |
+
"name": "fold_structure",
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| 493 |
+
"description": (
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| 494 |
+
"Look up a named protein's experimentally-validated predicted "
|
| 495 |
+
"3-D structure in AlphaFold DB and show it on the user's Bench. "
|
| 496 |
+
"Call this proactively, as soon as the user names the protein "
|
| 497 |
+
"they want to engineer (e.g. 'I want to engineer MC1R') — it is "
|
| 498 |
+
"fast (a public precomputed model, no folding is run) and it "
|
| 499 |
+
"puts the structure on screen while you keep talking. It sends "
|
| 500 |
+
"ONLY the gene symbol and organism to UniProt, never a "
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| 501 |
+
"sequence, so it is always safe to call. Human and mouse only. "
|
| 502 |
+
"NOTE: this does NOT fold a mutated variant — predicting a "
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| 503 |
+
"user's own variant structure de novo would send their sequence "
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| 504 |
+
"to a third party, so that stays a separate explicit action the "
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| 505 |
+
"user takes themselves in the UI. Requires the user to be signed in."
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| 506 |
+
),
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| 507 |
+
"parameters": {
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| 508 |
+
"type": "object",
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| 509 |
+
"properties": {
|
| 510 |
+
"gene_symbol": {
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| 511 |
+
"type": "string",
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| 512 |
+
"description": "Gene/protein symbol, e.g. MC1R, TP53, BRCA1.",
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| 513 |
+
},
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| 514 |
+
"organism": {
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| 515 |
+
"type": "string",
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| 516 |
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"enum": ["human", "mouse"],
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| 517 |
+
"description": "AlphaFold lookup is supported for human and mouse.",
|
| 518 |
+
},
|
| 519 |
+
},
|
| 520 |
+
"required": ["gene_symbol", "organism"],
|
| 521 |
+
},
|
| 522 |
+
},
|
| 523 |
+
},
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| 524 |
{
|
| 525 |
"type": "function",
|
| 526 |
"function": {
|
|
@@ -6809,6 +6809,28 @@ body[data-ui="bench"] #navTuring { display: none; }
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| 6809 |
.mc-grid { grid-template-columns: 1fr; }
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| 6810 |
}
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| 6811 |
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| 6812 |
/* ═══════════════════════════════════════════════════════════════════════
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| 6813 |
THE BENCH (construct workspace) — Phase 2, 2026-07-13. Active only when
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| 6814 |
data-ui="bench" AND data-bench="open". Repositions the EXISTING Turing
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| 6809 |
.mc-grid { grid-template-columns: 1fr; }
|
| 6810 |
}
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| 6811 |
|
| 6812 |
+
/* ═══════════════════════════════════════════════════════════════════════
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| 6813 |
+
STRUCTURE TAB (2026-07-18) — the Bench's 3-D view. Auto-filled from the
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| 6814 |
+
fold_structure tool with a public AlphaFold-DB model. Reuses the existing
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| 6815 |
+
.alphafold-loading overlay styling for the load/error states.
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| 6816 |
+
═══════════════════════════════════════════════════════════════════════ */
|
| 6817 |
+
.view--structure { padding: 28px 32px 40px; overflow: auto; }
|
| 6818 |
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.struct { max-width: 1080px; margin: 0 auto; }
|
| 6819 |
+
.struct-head { display: flex; align-items: flex-end; justify-content: space-between;
|
| 6820 |
+
gap: 20px; margin-bottom: 18px; }
|
| 6821 |
+
.struct-head h2 { font-weight: 500; letter-spacing: -0.012em; margin: 2px 0 0; }
|
| 6822 |
+
.struct-viewer { position: relative; width: 100%; height: min(62vh, 560px);
|
| 6823 |
+
border: 1px solid var(--line-strong); background: #0E141B; overflow: hidden; }
|
| 6824 |
+
.struct-empty { position: absolute; inset: 0; display: flex; align-items: center;
|
| 6825 |
+
justify-content: center; text-align: center; padding: 28px; color: rgba(255,255,255,.62);
|
| 6826 |
+
font-size: 13.5px; line-height: 1.6; max-width: 460px; margin: auto; }
|
| 6827 |
+
.struct-note { margin-top: 12px; font-size: 12px; color: var(--ink-faint); line-height: 1.6; }
|
| 6828 |
+
@media (max-width: 860px) {
|
| 6829 |
+
.view--structure { padding: 20px 18px 32px; }
|
| 6830 |
+
.struct-head { flex-direction: column; align-items: flex-start; }
|
| 6831 |
+
.struct-viewer { height: 52vh; }
|
| 6832 |
+
}
|
| 6833 |
+
|
| 6834 |
/* ═══════════════════════════════════════════════════════════════════════
|
| 6835 |
THE BENCH (construct workspace) — Phase 2, 2026-07-13. Active only when
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| 6836 |
data-ui="bench" AND data-bench="open". Repositions the EXISTING Turing
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|
@@ -368,7 +368,7 @@ renderGutter();
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| 368 |
// existed): 'turing' leads the list and is the no-hash fallback. The other
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| 369 |
// four tools stay one click away for hands-on work — Turing just isn't a
|
| 370 |
// nav-rail peer anymore, it's what a session starts with.
|
| 371 |
-
const ROUTES = ['mission', 'turing', 'plasmid', 'design', 'crispr', 'primers', 'docs'];
|
| 372 |
|
| 373 |
// ── UI mode flag (Mission-Control-+-Bench re-architecture, 2026-07-13) ──
|
| 374 |
// 'bench' is now the default UI; ?ui=classic remains as a rollback escape
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@@ -438,6 +438,7 @@ function showRoute(name) {
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|
| 438 |
// the old static "Engine" title).
|
| 439 |
const TOPBAR = {
|
| 440 |
mission: ['Mission control', 'Your constructs and the loop'],
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|
| 441 |
plasmid: ['Plasmid Editor', 'Map, annotate & clone your construct'],
|
| 442 |
design: ['Directed Evolution', 'ESM-2 variant libraries from a wild-type'],
|
| 443 |
crispr: ['CRISPR', 'Guide RNA design — knockout & base editing'],
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@@ -9003,7 +9004,7 @@ function runOracle(opts){
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| 9003 |
// keep working. Only ever active in the opt-in bench UI.
|
| 9004 |
// ═══════════════════════════════════════════════════════════════════════
|
| 9005 |
(function () {
|
| 9006 |
-
const TAB_ROUTES = ['design', 'plasmid', 'crispr', 'primers'];
|
| 9007 |
let current = null; // { name, sub, phaseIdx, route }
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| 9008 |
|
| 9009 |
function el(id) { return document.getElementById(id); }
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@@ -9091,6 +9092,105 @@ function runOracle(opts){
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| 9091 |
|
| 9092 |
wire();
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| 9093 |
window.TDBench = { openConstruct: openConstruct, openConversation: openConversation, close: close, onRoute: onRoute };
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| 9094 |
})();
|
| 9095 |
|
| 9096 |
// ═══════════════════════════════════════════════════════════════════════
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|
| 368 |
// existed): 'turing' leads the list and is the no-hash fallback. The other
|
| 369 |
// four tools stay one click away for hands-on work — Turing just isn't a
|
| 370 |
// nav-rail peer anymore, it's what a session starts with.
|
| 371 |
+
const ROUTES = ['mission', 'turing', 'structure', 'plasmid', 'design', 'crispr', 'primers', 'docs'];
|
| 372 |
|
| 373 |
// ── UI mode flag (Mission-Control-+-Bench re-architecture, 2026-07-13) ──
|
| 374 |
// 'bench' is now the default UI; ?ui=classic remains as a rollback escape
|
|
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|
| 438 |
// the old static "Engine" title).
|
| 439 |
const TOPBAR = {
|
| 440 |
mission: ['Mission control', 'Your constructs and the loop'],
|
| 441 |
+
structure: ['Structure', 'Predicted 3-D model of your target'],
|
| 442 |
plasmid: ['Plasmid Editor', 'Map, annotate & clone your construct'],
|
| 443 |
design: ['Directed Evolution', 'ESM-2 variant libraries from a wild-type'],
|
| 444 |
crispr: ['CRISPR', 'Guide RNA design — knockout & base editing'],
|
|
|
|
| 9004 |
// keep working. Only ever active in the opt-in bench UI.
|
| 9005 |
// ═══════════════════════════════════════════════════════════════════════
|
| 9006 |
(function () {
|
| 9007 |
+
const TAB_ROUTES = ['structure', 'design', 'plasmid', 'crispr', 'primers'];
|
| 9008 |
let current = null; // { name, sub, phaseIdx, route }
|
| 9009 |
|
| 9010 |
function el(id) { return document.getElementById(id); }
|
|
|
|
| 9092 |
|
| 9093 |
wire();
|
| 9094 |
window.TDBench = { openConstruct: openConstruct, openConversation: openConversation, close: close, onRoute: onRoute };
|
| 9095 |
+
|
| 9096 |
+
// The top-level showRoute(currentRoute()) runs during initial script
|
| 9097 |
+
// execution — BEFORE this IIFE defines window.TDBench — so booting straight
|
| 9098 |
+
// onto #turing (the landing's "Meet Turing" deep-link) missed showRoute's
|
| 9099 |
+
// "open a conversation, not a cold chat" intercept and rendered the
|
| 9100 |
+
// standalone full-screen chat anyway. Catch it on the next tick rather than
|
| 9101 |
+
// inline: other boot code still routes after this IIFE evaluates, and doing
|
| 9102 |
+
// it synchronously here got undone by whatever ran later. Deferring one
|
| 9103 |
+
// turn lets all boot-time routing settle, then we correct it once.
|
| 9104 |
+
setTimeout(function () {
|
| 9105 |
+
try {
|
| 9106 |
+
if (typeof currentRoute === 'function' && currentRoute() === 'turing'
|
| 9107 |
+
&& typeof uiMode === 'function' && uiMode() === 'bench'
|
| 9108 |
+
&& document.body.getAttribute('data-bench') !== 'open') {
|
| 9109 |
+
openConversation();
|
| 9110 |
+
}
|
| 9111 |
+
} catch (e) {}
|
| 9112 |
+
}, 0);
|
| 9113 |
+
})();
|
| 9114 |
+
|
| 9115 |
+
// ═══════════════════════════════════════════════════════════════════════
|
| 9116 |
+
// STRUCTURE TAB (2026-07-18) — the Bench's 3-D view, filled automatically.
|
| 9117 |
+
// When Turing resolves a named protein it calls the fold_structure tool,
|
| 9118 |
+
// which returns a PUBLIC AlphaFold-DB model reference (only the gene symbol
|
| 9119 |
+
// was sent to look it up — never a sequence). The chat panel relays that to
|
| 9120 |
+
// this controller, which mounts the same resilient Mol* viewer the identify
|
| 9121 |
+
// embed uses, so the structure is on screen while Turing keeps working.
|
| 9122 |
+
//
|
| 9123 |
+
// De-novo folding of a user's own VARIANT is deliberately NOT here: that
|
| 9124 |
+
// POSTs their amino-acid sequence to a third party (ESMFold), so it stays an
|
| 9125 |
+
// explicit, separately-consented action via the existing fold modal.
|
| 9126 |
+
// ═══════════════════════════════════════════════════════════════════════
|
| 9127 |
+
(function () {
|
| 9128 |
+
let mountedAcc = null; // don't remount the structure already showing
|
| 9129 |
+
|
| 9130 |
+
function el(id) { return document.getElementById(id); }
|
| 9131 |
+
|
| 9132 |
+
// Hard allowlist: this controller is reachable via postMessage, so it must
|
| 9133 |
+
// never hand an attacker-supplied URL to the structure loader.
|
| 9134 |
+
function safeAfUrl(u) {
|
| 9135 |
+
try {
|
| 9136 |
+
const p = new URL(String(u), window.location.origin);
|
| 9137 |
+
return (p.protocol === 'https:' && p.hostname === 'alphafold.ebi.ac.uk') ? p.href : '';
|
| 9138 |
+
} catch (_) { return ''; }
|
| 9139 |
+
}
|
| 9140 |
+
|
| 9141 |
+
function show(info) {
|
| 9142 |
+
info = info || {};
|
| 9143 |
+
const url = safeAfUrl(info.alphafold_url);
|
| 9144 |
+
const host = el('structViewer');
|
| 9145 |
+
if (!url || !host) return;
|
| 9146 |
+
|
| 9147 |
+
const acc = String(info.uniprot || '').replace(/[^A-Za-z0-9]/g, '').slice(0, 20);
|
| 9148 |
+
const gene = String(info.gene_symbol || '').slice(0, 40);
|
| 9149 |
+
const org = String(info.organism || '').slice(0, 20);
|
| 9150 |
+
|
| 9151 |
+
const title = el('structTitle'), sub = el('structSub');
|
| 9152 |
+
const link = el('structEntryLink'), note = el('structNote');
|
| 9153 |
+
if (title) title.textContent = gene || 'Predicted structure';
|
| 9154 |
+
if (sub) {
|
| 9155 |
+
sub.textContent = 'AlphaFold DB predicted model'
|
| 9156 |
+
+ (acc ? ' · UniProt ' + acc : '') + (org ? ' · ' + org : '');
|
| 9157 |
+
}
|
| 9158 |
+
const page = safeAfUrl(info.alphafold_page);
|
| 9159 |
+
if (link) { if (page) { link.href = page; link.hidden = false; } else { link.hidden = true; } }
|
| 9160 |
+
if (note) {
|
| 9161 |
+
note.hidden = false;
|
| 9162 |
+
note.textContent = 'Public precomputed model — only the gene symbol was sent to '
|
| 9163 |
+
+ 'look this up. Your sequences never left the engine.';
|
| 9164 |
+
}
|
| 9165 |
+
|
| 9166 |
+
if (mountedAcc && mountedAcc === acc) return; // already showing this one
|
| 9167 |
+
mountedAcc = acc;
|
| 9168 |
+
host.innerHTML = '<div class="alphafold-loading">Loading predicted structure…</div>';
|
| 9169 |
+
host.dataset.pdbUrl = url;
|
| 9170 |
+
try { mountAlphaFoldViewer({ alphafold_url: url }, host); } catch (_) {}
|
| 9171 |
+
}
|
| 9172 |
+
|
| 9173 |
+
// Show it AND bring the Structure tab forward (only inside an open bench —
|
| 9174 |
+
// we never yank a user out of whatever else they're doing).
|
| 9175 |
+
function open(info) {
|
| 9176 |
+
show(info);
|
| 9177 |
+
if (document.body.getAttribute('data-bench') === 'open'
|
| 9178 |
+
&& location.hash !== '#structure') {
|
| 9179 |
+
location.hash = '#structure';
|
| 9180 |
+
}
|
| 9181 |
+
}
|
| 9182 |
+
|
| 9183 |
+
// Relay from the Turing panel (assistant.js) after a fold_structure call.
|
| 9184 |
+
// Origin-checked: the only legitimate sender is our own iframe.
|
| 9185 |
+
window.addEventListener('message', function (e) {
|
| 9186 |
+
if (e.origin !== window.location.origin) return;
|
| 9187 |
+
const d = e.data;
|
| 9188 |
+
if (!d || d.type !== 'td-structure') return;
|
| 9189 |
+
open({ gene_symbol: d.gene_symbol, organism: d.organism, uniprot: d.uniprot,
|
| 9190 |
+
alphafold_url: d.alphafold_url, alphafold_page: d.alphafold_page });
|
| 9191 |
+
});
|
| 9192 |
+
|
| 9193 |
+
window.TDStructure = { show: show, open: open };
|
| 9194 |
})();
|
| 9195 |
|
| 9196 |
// ═══════════════════════════════════════════════════════════════════════
|
|
@@ -312,6 +312,12 @@
|
|
| 312 |
return [p.name || "?", p.tier || "?"];
|
| 313 |
}) };
|
| 314 |
}
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 315 |
if (name === "fetch_sequence") {
|
| 316 |
// No `items` here on purpose — the resolved sequence itself
|
| 317 |
// (which can be thousands of nt) goes back to the model to
|
|
@@ -601,6 +607,24 @@
|
|
| 601 |
if (j.phase) c.phase = j.phase;
|
| 602 |
if (j.context_tokens_limit) { c.contextTokensUsed = j.context_tokens_used || 0; c.contextTokensLimit = j.context_tokens_limit; }
|
| 603 |
if (j.tool_result) c.messages.push({ role: "tool", tool: shapeToolResult(j.tool_name, j.tool_result) });
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 604 |
pendingReply = { chat: c, index: c.messages.length, text: j.assistant_message || "(no reply)" };
|
| 605 |
c.messages.push({ role: "assistant", text: "" });
|
| 606 |
}
|
|
|
|
| 312 |
return [p.name || "?", p.tier || "?"];
|
| 313 |
}) };
|
| 314 |
}
|
| 315 |
+
if (name === "fold_structure") {
|
| 316 |
+
return { name: label, status: "done", result: result,
|
| 317 |
+
rows: [["protein", String(result.gene_symbol || "?")],
|
| 318 |
+
["uniprot", String(result.uniprot || "?")],
|
| 319 |
+
["source", String(result.source || "AlphaFold DB")]] };
|
| 320 |
+
}
|
| 321 |
if (name === "fetch_sequence") {
|
| 322 |
// No `items` here on purpose — the resolved sequence itself
|
| 323 |
// (which can be thousands of nt) goes back to the model to
|
|
|
|
| 607 |
if (j.phase) c.phase = j.phase;
|
| 608 |
if (j.context_tokens_limit) { c.contextTokensUsed = j.context_tokens_used || 0; c.contextTokensLimit = j.context_tokens_limit; }
|
| 609 |
if (j.tool_result) c.messages.push({ role: "tool", tool: shapeToolResult(j.tool_name, j.tool_result) });
|
| 610 |
+
// fold_structure resolved a PUBLIC AlphaFold-DB model for the
|
| 611 |
+
// protein the user named — hand it to the parent app so the
|
| 612 |
+
// Bench's Structure tab fills in while Turing keeps talking.
|
| 613 |
+
// Only the model reference crosses; no sequence is involved.
|
| 614 |
+
// Same-origin target, mirroring app.js's td-theme post.
|
| 615 |
+
if (j.tool_name === "fold_structure" && j.tool_result && j.tool_result.ok
|
| 616 |
+
&& window.parent && window.parent !== window) {
|
| 617 |
+
try {
|
| 618 |
+
window.parent.postMessage({
|
| 619 |
+
type: "td-structure",
|
| 620 |
+
gene_symbol: j.tool_result.gene_symbol || "",
|
| 621 |
+
organism: j.tool_result.organism || "",
|
| 622 |
+
uniprot: j.tool_result.uniprot || "",
|
| 623 |
+
alphafold_url: j.tool_result.alphafold_url || "",
|
| 624 |
+
alphafold_page: j.tool_result.alphafold_page || "",
|
| 625 |
+
}, window.location.origin);
|
| 626 |
+
} catch (err) {}
|
| 627 |
+
}
|
| 628 |
pendingReply = { chat: c, index: c.messages.length, text: j.assistant_message || "(no reply)" };
|
| 629 |
c.messages.push({ role: "assistant", text: "" });
|
| 630 |
}
|
|
@@ -112,7 +112,7 @@
|
|
| 112 |
<!-- ?v= query bumps invalidate browser + iframe asset caches when app.css /
|
| 113 |
app.js change. Bump these numbers whenever you ship a frontend update —
|
| 114 |
without them, users keep getting the stale file for up to a week. -->
|
| 115 |
-
<link rel="stylesheet" href="/static/app.css?v=20260718-
|
| 116 |
<link rel="icon" type="image/svg+xml" href="/static/favicon.svg?v=2" />
|
| 117 |
<link rel="apple-touch-icon" href="/static/favicon.svg?v=2" />
|
| 118 |
<!-- Mol* (PDBe) 3-D viewer is ~4.9 MB. We do NOT eager-load it on every
|
|
@@ -444,6 +444,7 @@
|
|
| 444 |
|
| 445 |
<div class="bench-canvashead" id="benchCanvasHead" hidden>
|
| 446 |
<nav class="bench-tabs" id="benchTabs" aria-label="Construct artifacts">
|
|
|
|
| 447 |
<button class="bench-tab" data-route="design" type="button">Library</button>
|
| 448 |
<button class="bench-tab" data-route="plasmid" type="button">Map</button>
|
| 449 |
<button class="bench-tab" data-route="crispr" type="button">Guides</button>
|
|
@@ -507,6 +508,34 @@
|
|
| 507 |
title="Turing — conversational engine" loading="lazy"></iframe>
|
| 508 |
</section>
|
| 509 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 510 |
<!-- =============================== DESIGN view (default) -->
|
| 511 |
<section class="view view--design" data-view="design">
|
| 512 |
<!--
|
|
@@ -2272,7 +2301,7 @@
|
|
| 2272 |
<!-- Cloning reference data must load before app.js so the Designer
|
| 2273 |
can read VECTORS / ENZYMES / CLONING_METHODS / TAGS / LINKERS. -->
|
| 2274 |
<script src="/static/cloning_db.js?v=20260530-ui-polish" defer></script>
|
| 2275 |
-
<script src="/static/app.js?v=20260718-
|
| 2276 |
<!-- Dwell-time heartbeat. Loads after auth.js so its /api/ping calls go
|
| 2277 |
through the JWT-attaching fetch wrapper (signed-in attribution). -->
|
| 2278 |
<script src="/static/telemetry.js?v=20260622-analytics" defer></script>
|
|
|
|
| 112 |
<!-- ?v= query bumps invalidate browser + iframe asset caches when app.css /
|
| 113 |
app.js change. Bump these numbers whenever you ship a frontend update —
|
| 114 |
without them, users keep getting the stale file for up to a week. -->
|
| 115 |
+
<link rel="stylesheet" href="/static/app.css?v=20260718-structure2" />
|
| 116 |
<link rel="icon" type="image/svg+xml" href="/static/favicon.svg?v=2" />
|
| 117 |
<link rel="apple-touch-icon" href="/static/favicon.svg?v=2" />
|
| 118 |
<!-- Mol* (PDBe) 3-D viewer is ~4.9 MB. We do NOT eager-load it on every
|
|
|
|
| 444 |
|
| 445 |
<div class="bench-canvashead" id="benchCanvasHead" hidden>
|
| 446 |
<nav class="bench-tabs" id="benchTabs" aria-label="Construct artifacts">
|
| 447 |
+
<button class="bench-tab" data-route="structure" type="button">Structure</button>
|
| 448 |
<button class="bench-tab" data-route="design" type="button">Library</button>
|
| 449 |
<button class="bench-tab" data-route="plasmid" type="button">Map</button>
|
| 450 |
<button class="bench-tab" data-route="crispr" type="button">Guides</button>
|
|
|
|
| 508 |
title="Turing — conversational engine" loading="lazy"></iframe>
|
| 509 |
</section>
|
| 510 |
|
| 511 |
+
<!-- =============================== STRUCTURE view
|
| 512 |
+
The Bench's Structure tab. Populated automatically when
|
| 513 |
+
Turing resolves a named protein (fold_structure → a PUBLIC
|
| 514 |
+
AlphaFold-DB model; only the gene symbol ever leaves the
|
| 515 |
+
Space, never a sequence). Mounts the same resilient Mol*
|
| 516 |
+
viewer the identify/AlphaFold embeds use. De-novo folding of
|
| 517 |
+
a user's own VARIANT stays an explicit, separately-consented
|
| 518 |
+
action (it would POST their sequence to a third party). -->
|
| 519 |
+
<section class="view view--structure2" data-view="structure" hidden aria-label="Predicted structure">
|
| 520 |
+
<div class="struct">
|
| 521 |
+
<header class="struct-head">
|
| 522 |
+
<div>
|
| 523 |
+
<p class="card-kicker" id="structKicker">§ Structure</p>
|
| 524 |
+
<h2 id="structTitle">Predicted structure</h2>
|
| 525 |
+
<p class="card-sub" id="structSub">Turing loads the wild-type model as soon as you name a protein.</p>
|
| 526 |
+
</div>
|
| 527 |
+
<a class="ghost" id="structEntryLink" target="_blank" rel="noopener" hidden>Open AlphaFold entry</a>
|
| 528 |
+
</header>
|
| 529 |
+
<div class="struct-viewer" id="structViewer">
|
| 530 |
+
<div class="struct-empty" id="structEmpty">
|
| 531 |
+
Name a protein in the conversation — “I want to engineer MC1R” — and its
|
| 532 |
+
predicted structure appears here.
|
| 533 |
+
</div>
|
| 534 |
+
</div>
|
| 535 |
+
<p class="struct-note" id="structNote" hidden></p>
|
| 536 |
+
</div>
|
| 537 |
+
</section>
|
| 538 |
+
|
| 539 |
<!-- =============================== DESIGN view (default) -->
|
| 540 |
<section class="view view--design" data-view="design">
|
| 541 |
<!--
|
|
|
|
| 2301 |
<!-- Cloning reference data must load before app.js so the Designer
|
| 2302 |
can read VECTORS / ENZYMES / CLONING_METHODS / TAGS / LINKERS. -->
|
| 2303 |
<script src="/static/cloning_db.js?v=20260530-ui-polish" defer></script>
|
| 2304 |
+
<script src="/static/app.js?v=20260718-structure2" defer></script>
|
| 2305 |
<!-- Dwell-time heartbeat. Loads after auth.js so its /api/ping calls go
|
| 2306 |
through the JWT-attaching fetch wrapper (signed-in attribution). -->
|
| 2307 |
<script src="/static/telemetry.js?v=20260622-analytics" defer></script>
|
|
@@ -0,0 +1,58 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Tests for the fold_structure agent tool — the Bench's auto-opening 3-D view.
|
| 2 |
+
|
| 3 |
+
The privacy contract is the point of this tool and is asserted here: it must
|
| 4 |
+
resolve a NAMED protein to a PUBLIC AlphaFold-DB model by sending only the gene
|
| 5 |
+
symbol + organism, and must never accept or forward a sequence (de-novo folding
|
| 6 |
+
of a user's own variant goes to a third party, so it stays an explicit,
|
| 7 |
+
separately-consented client-side action).
|
| 8 |
+
"""
|
| 9 |
+
import pytest
|
| 10 |
+
|
| 11 |
+
from dee.core import agent_tools as t
|
| 12 |
+
|
| 13 |
+
|
| 14 |
+
def test_fold_structure_is_registered_and_specced():
|
| 15 |
+
assert "fold_structure" in t._TOOLS
|
| 16 |
+
spec = next(s for s in t.TOOL_SPECS if s["function"]["name"] == "fold_structure")
|
| 17 |
+
params = spec["function"]["parameters"]
|
| 18 |
+
assert set(params["required"]) == {"gene_symbol", "organism"}
|
| 19 |
+
# It must NOT take a sequence — that's the whole privacy boundary.
|
| 20 |
+
assert "sequence" not in params["properties"]
|
| 21 |
+
assert params["properties"]["organism"]["enum"] == ["human", "mouse"]
|
| 22 |
+
|
| 23 |
+
|
| 24 |
+
def test_fold_structure_requires_gene_and_supported_organism():
|
| 25 |
+
assert t._tool_fold_structure({"organism": "human"})["ok"] is False
|
| 26 |
+
bad = t._tool_fold_structure({"gene_symbol": "MC1R", "organism": "zebrafish"})
|
| 27 |
+
assert bad["ok"] is False
|
| 28 |
+
assert "human or mouse" in bad["error"]
|
| 29 |
+
|
| 30 |
+
|
| 31 |
+
def test_fold_structure_returns_public_model_reference(monkeypatch):
|
| 32 |
+
seen = {}
|
| 33 |
+
|
| 34 |
+
def fake_resolve_uniprot(organism, gene_symbol):
|
| 35 |
+
seen["args"] = (organism, gene_symbol)
|
| 36 |
+
return {"ok": True, "uniprot": "Q01726",
|
| 37 |
+
"alphafold_url": "https://alphafold.ebi.ac.uk/files/AF-Q01726-F1-model_v6.pdb",
|
| 38 |
+
"alphafold_page": "https://alphafold.ebi.ac.uk/entry/Q01726"}
|
| 39 |
+
|
| 40 |
+
from dee.core import resolve as _resolve
|
| 41 |
+
monkeypatch.setattr(_resolve, "resolve_uniprot", fake_resolve_uniprot)
|
| 42 |
+
|
| 43 |
+
out = t._tool_fold_structure({"gene_symbol": "MC1R", "organism": "human"})
|
| 44 |
+
assert out["ok"] is True
|
| 45 |
+
assert out["uniprot"] == "Q01726"
|
| 46 |
+
assert out["alphafold_url"].startswith("https://alphafold.ebi.ac.uk/")
|
| 47 |
+
assert out["source"] == "AlphaFold DB"
|
| 48 |
+
# ONLY (organism, gene) was sent onward — no sequence anywhere in the call.
|
| 49 |
+
assert seen["args"] == ("human", "MC1R")
|
| 50 |
+
|
| 51 |
+
|
| 52 |
+
def test_fold_structure_surfaces_lookup_failure_honestly(monkeypatch):
|
| 53 |
+
from dee.core import resolve as _resolve
|
| 54 |
+
monkeypatch.setattr(_resolve, "resolve_uniprot",
|
| 55 |
+
lambda o, g: {"ok": False, "error": "No reviewed UniProt entry found for ZZZ (human)."})
|
| 56 |
+
out = t._tool_fold_structure({"gene_symbol": "ZZZ", "organism": "human"})
|
| 57 |
+
assert out["ok"] is False
|
| 58 |
+
assert "ZZZ" in out["error"]
|