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Found 24 Skills
Query and retrieve protein/nucleic acid structures from RCSB PDB. Use when you need to search the PDB database for structures or metadata. Supports text, sequence, and structure-based searches, coordinate downloads, and metadata retrieval for structural biology workflows.
Access UniProt for protein sequence and annotation retrieval. Use this skill when: (1) Looking up protein sequences by accession, (2) Finding functional annotations, (3) Getting domain boundaries, (4) Finding homologs and variants, (5) Cross-referencing to PDB structures. For structure retrieval, use pdb. For sequence design, use proteinmpnn.
Retrieves protein structure data from RCSB PDB, PDBe, and AlphaFold with protein disambiguation, quality assessment, and comprehensive structural profiles. Creates detailed structure reports with experimental metadata, ligand information, and download links. Use when users need protein structures, 3D models, crystallography data, or mention PDB IDs (4-character codes like 1ABC) or UniProt accessions.
Run molecular dynamics (MD) simulations via the FastFold Workflows API. Today supports the CALVADOS+OpenMM workflow (calvados_openmm_v1) from either an existing fold job (AF structure + PAE auto-resolved) or manual PDB+PAE upload, then waits for completion, fetches metrics/plots/CSV artifacts, and extracts trajectory frames as PDB files. Use when running an MD simulation with FastFold, CALVADOS + OpenMM, reading MD metrics/plots, extracting frames, or scripting submit → wait → results for an MD run.
Structure similarity search with Foldseek. Use this skill when: (1) Finding similar structures in PDB/AFDB databases, (2) Structural homology search, (3) Database queries by 3D structure, (4) Finding remote homologs not detected by sequence, (5) Clustering structures by similarity. For sequence similarity, use uniprot BLAST. For structure prediction, use chai or boltz.
Access RCSB PDB for 3D protein/nucleic acid structures. Search by text/sequence/structure, download coordinates (PDB/mmCIF), retrieve metadata, for structural biology and drug discovery.
Research GPCR receptors, antibody structures, and protein interface analysis using GPCRdb, SAbDab, and PDBePISA. Retrieves receptor families, known ligands (agonists/antagonists/biased), mutations, crystal/cryo-EM structures, antibody CDR annotations, and protein-protein interface geometry. Use when asked about GPCR drug targets, receptor-ligand interactions, antibody structural data, or protein assembly interfaces.
Debug Python: pdb REPL + debugpy remote (DAP).
Integrate structural biology data with proteomics for drug target validation. Retrieves protein structures from PDB (RCSB, PDBe), AlphaFold predictions, antibody structures (SAbDab), GPCR data (GPCRdb), binding pocket analysis (ProteinsPlus), and ligand interactions (BindingDB). Use when asked to find structures for a drug target, identify binding site ligands, cross-validate drug binding with structural data, assess structural druggability, or compare experimental vs predicted structures.
Primary Python toolkit for molecular biology. Preferred for Python-based PubMed/NCBI queries (Bio.Entrez), sequence manipulation, file parsing (FASTA, GenBank, FASTQ, PDB), advanced BLAST workflows, structures, phylogenetics. For quick BLAST, use gget. For direct REST API, use pubmed-database.
Plans, executes, and validates Google Kubernetes Engine (GKE) cluster upgrades and maintenance operations for both Standard and Autopilot clusters. Produces upgrade plans, pre/post-upgrade checklists, maintenance runbooks with gcloud commands, release channel strategy, and troubleshooting guides. Handles node pool upgrade strategies (surge, blue-green), version compatibility, PDB management, and workload-specific concerns (stateful, GPU, operators). Use this skill whenever the user mentions GKE upgrades, Kubernetes version bumps, node pool maintenance, GKE patching, cluster version management, release channel selection, maintenance windows, surge upgrades, stuck upgrades, or any GKE lifecycle management task — even casual mentions like "we need to upgrade our clusters" or "plan our next GKE maintenance" or "our upgrade is stuck." Don't use for GKE cluster creation, application onboarding, general networking/routing setup, or security policy configurations (use gke-basics or relevant GKE skills instead).
Access AlphaFold's 200M+ AI-predicted protein structures. Retrieve structures by UniProt ID, download PDB/mmCIF files, analyze confidence metrics (pLDDT, PAE), for drug discovery and structural biology.