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Commit History
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feat: molecular docking (AutoDock Vina) + docs site + Sentry + cache stats + Phase 2 docs update
- Molecular docking tool via AutoDock Vina (free, CPU-based, local binary) - Dockerfile: openbabel apt install + vina binary from GitHub releases - Backend: DockingTool (PDB fetch, obabel PDBQT conversion, vina subprocess, pose parser) - Backend: POST /api/docking/run + GET /api/docking/status/{job_id} - Frontend: analyze/docking/page.tsx — PDB ID + SMILES input, auto-detect binding pocket, results table with affinity color-coding, PDBe structure viewer - Frontend: docking card with 'New' badge added to analyze/page.tsx - Documentation site: /learn pages (10 topics + glossary), LearnPopover inline help, TutorialWalkthrough onboarding modal - Sentry error monitoring: sentry.client.config.ts, sentry.server.config.ts, next.config.js withSentryConfig, backend sentry_sdk init in main.py - Cache stats tracking: _cache_stats counters, from_cache flag, /api/admin/cache-stats endpoint, @ttl_cache on ncbi_service.search_by_name and pathway_enrichment - All .md docs (MASTER_PL…fb8c550
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fix: replace dead embed.rcsb.org iframe with PDBe Mol* viewer
7d2b5e1 -
feat: complete Phase 2 — API keys, share links, export, pipeline steps, guest upgrade
305458b -
refactor: enhance dashboard with quick tools, jobs with filter tabs, settings with profile identity
32dd681 -
feat: download pre-compiled PhyML binary from bioconda instead of source build
aad6f8e -
fix: use valid EBI email (example.com), remove PhyML build from Docker
87fe374 -
fix: remove PhyML source build from Docker (fails on HF), add graceful missing-binary error in phylo.py
20cf1ce -
fix: add libtool + ca-certificates to PhyML build, remove -j for low-mem environments
e9f3afa -
fix: PhyML build — disable -march=native, split RUN steps, remove -q from wget
428cddb -
fix: default import PhyloTreeViewer in alignment, report, and PipelineResults
fe5ce87 -
feat: dedicated phylo router (NJ/UPGMA/ML), local PhyML binary, standalone phylo page, PhyloTreeViewer redesign
07e58f6 -
fix: accurate phylogenetic tree visualization — proportional branch lengths, scale bar, bootstrap labels, circular layout mode
9e11dca
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feat: in-memory pipeline v2 with MSA, phylo tree, domains; PipelineResults component; standalone phylo page; report page; wizard step checkboxes
990c867 -
chore: move @types /three from dependencies to devDependencies
36b2c3d -
chore: remove unused celery dependency (worker uses threading, not Celery)
794b850 -
fix: add logging to init_redis() so Redis failures are visible in server logs
3edbe65 -
fix: make primer3-py optional (separate install step, router handles missing import gracefully)
2572d7f -
fix: convert AlignmentView.tsx light-theme classes to dark void theme tokens
312665c -
fix: use embed.rcsb.org instead of www.rcsb.org for clean 3D viewer iframe
567f164 -
feat: add PNG/TSV/JSON/CSV/FASTA export to all 8 tool components
- Shared export utility (export-utils.ts): downloadTsv, downloadJson, copyText, exportSvgPng - DomainArchitecture: Export PNG (SVG canvas), Export TSV (domain table) - PhyloTreeViewer: Export PNG - ConservationTrack: Export PNG - StructureComparison: Export PNG (TM-score bars), Export TSV (metrics) - UniProt page: Export JSON, Export CSV (header fields) - PrimerDesigner: Export TSV (all primer pairs) - PathwayEnrichment: Copy links, Export TSV (pathway table) - BlastPanel: Export CSV (hit table), Export FASTA (sequences)342fa92 -
fix: use STRING-DB image API for accurate PPI diagram, add PNG/TSV/copy export buttons
c1c07f1
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fix: Foldseek alignments are [dict] lists, parse target format
5f521f2 -
fix: debug alignment structure types
19208a9 -
fix: debug Foldseek result structure
61dd06a -
fix: Foldseek alignments are dicts, parse with .get() correctly
7756be4 -
fix: debug Foldseek alignment format (list vs dict)
758bd07 -
fix: add full traceback to Foldseek error
106504c -
fix: use aiohttp for Foldseek multipart upload
feb3584 -
fix: debug Foldseek submit response type
2058534 -
fix: use sync httpx in thread pool for Foldseek submit
8dd7e6b -
fix: restore nested alignments loop, remove debug raw
e598246 -
fix: return raw Foldseek data for debugging
36a7562 -
fix: Foldseek returns list directly, no alignments sub-key
87455a5 -
fix: move fetch inside httpx async with block
a55a85f -
fix: manual multipart for Foldseek, add secrets import
3b0a62a -
fix: use sync httpx.Client for Foldseek multipart upload
6f0c958 -
fix: add error detail to Foldseek, use bytes, longer timeout
e368884 -
fix: simplify Foldseek integration, use full PDB, encode as bytes
b4c387f -
fix: primer error handling, interactions scores, structure comparison API
- PrimerDesigner: handle array-type d.detail from Pydantic validation errors preventing '[object Object]' display - interactions: remove /1000 divisor — STRING-DB v12 returns scores in 0-1 range - structure_analysis: replace defunct PDBeFold REST API with Foldseek (async job-based, returns TM-score, seq identity, alignment length)3030b52 -
fix: handle null name in InterPro domain response
Some cathgene3d entries have 'name': null instead of a string or dict, causing AttributeError: 'NoneType' object has no attribute 'get'. Now safely coerces null/None to accession string.76de492 -
fix: forward backend error detail in 4 components
DomainArchitecture, StringDBViewer, RamachandranPlot, SecondaryStructure now parse the response body's 'detail' field on error, showing the actual API message instead of a generic status code.5b7a343 -
fix: handle non-200 responses in domains, interactions, ramachandran, SS components
Add res.ok checks and error state to DomainArchitecture, StringDBViewer, RamachandranPlot, and SecondaryStructureViewer. Prevents 'can't access property map of undefined' crash when API returns 404/502.9fc8479 -
feat: domains, interactions, primers, structure analysis, wizard, phylo tree, conservation
- Add backend routers: domains (InterPro), interactions (STRING-DB), primers (Primer3), structure_analysis (Ramachandran, SS pred, comparison) - Add frontend components: AnalysisWizard, PhyloTreeViewer, DomainArchitecture, StringDBViewer, PrimerDesigner, RamachandranPlot, SecondaryStructureViewer, StructureComparison, ConservationTrack - Add pages: /wizard, /analyze/domains, /analyze/interactions, /analyze/primers, /analyze/compare - Update analyze hub: 10 operations in 3 groups + wizard CTA - Update alignment page: visual phylo tree + conservation track - Update job results: Advanced Analysis tabs panel - Register all routers in main.py; add primer3-py to requirements; fix CORS & profilebac1801
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Fix invisible fonts in Reactome DiagramJs: isolate widget from dark-theme CSS overrides
59495c0 -
Fix KEGG search: use find/hsa with symbol matching + parse get/PATHWAY section
28de608 -
Add Reactome diagrams, KEGG search, pathway enrichment (pipeline + standalone)
8ce1e37 -
Security, crash fixes, demo prep, dead code removal
- Auth guard: GET/DELETE /api/jobs/{id} now verify ownership (403 on mismatch) - Streaming auth: interpretStream() injects Supabase Bearer token - DELETE 404: return 404 if job never existed - JobProgress: fixed active step to show next pending step - Step names unified: worker → definition → frontend all match - Null-guards: BlastPanel, ScoreBars, UniprotPanel handle undefined/null data - ErrorBoundary: new class component wrapping dashboard layout - Silent catches: replaced .catch(noop) with user-visible error banner - Demo data: filled alignment strings for all hits; added hemoglobin + BRCA1 - History page: linked in sidebar nav (was orphaned) - pipeline_type default fixed: blast → protein_analysis - Axios timeout: added 30s timeout to api client - Dead code: removed 8 files (engine.py, results/export/waitlist routers, celery_app, redis service, registration tool, StructureViewer component) and 4 unused api.ts functions9a28cd0 -
Fix Reactome pathway search: correct param name and response parsing
- Changed 'q' to 'query' in search/query params (Reactome API rejects 'q') - Fixed response parsing: Reactome returns grouped JSON (results[N].entries) not a flat list — added _extract_entries() helper - Updated Dockerfile port from 8000 to 7860 for HF Spaces compatibility2f3ea25
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Add Render Blueprint, GitHub Actions auto-deploy, revert to CORS fix, local startup scripts
3beb058 -
Fix structure viewer iframe: embed.rcsb.org is dead → use www.rcsb.org/3d-view/{pdbId}
62d0f3d