## Resume a stopped protein library screen `client.Protein.LibraryScreen.Resume(ctx, id) (*ProteinLibraryScreenResumeResponse, error)` **post** `/compute/v1/protein/library-screen/{id}/resume` Resume a stopped protein library screen from its last checkpoint ### Parameters - `id string` ### Returns - `type ProteinLibraryScreenResumeResponse struct{…}` A protein library screening pipeline run - `ID string` Unique ProteinLibraryScreen identifier - `CompletedAt Time` - `CreatedAt Time` - `DataDeletedAt Time` When the input, output, and result data was permanently deleted. Null if data has not been deleted. - `Engine Boltzprot` Deprecated. Use pipeline instead. - `const BoltzprotBoltzprot Boltzprot = "boltzprot"` - `EngineVersion String1_0` Deprecated. Use pipeline_version instead. - `const String1_01_0 String1_0 = "1.0"` - `Error ProteinLibraryScreenResumeResponseError` - `Code string` Machine-readable error code - `Message string` Human-readable error message - `Details any` Additional field-level error details keyed by input path, when available. - `Input ProteinLibraryScreenResumeResponseInput` Pipeline input (null if data deleted) - `Proteins ProteinLibraryScreenResumeResponseInputProteins` - `URL string` URL to download the file - `URLExpiresAt Time` When the presigned URL expires - `Target ProteinLibraryScreenResumeResponseInputTargetUnion` Target specification (structure template or template-free) - `type ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponse struct{…}` Target defined by an uploaded 3D structure (CIF or PDB file). Only chains included in chain_selection are used. - `ChainSelection map[string, ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponseChainSelectionUnion]` Chains selected from the uploaded structure, keyed by chain ID. Only chains listed here are included in the pipeline run — any chains omitted from this mapping are ignored. Each value defines which residues to keep, which are epitope residues, which are non-binding residues, and which are flexible. - `type ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpec struct{…}` Per-chain specification for a polymer (protein/RNA/DNA) chain in a structure template target. - `ChainType Polymer` - `const PolymerPolymer Polymer = "polymer"` - `CropResidues ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion` 0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are excluded from the pipeline run. - `type ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesArray []int64` 0-indexed residue indices to keep - `type All string` - `const AllAll All = "all"` - `EpitopeResidues []int64` 0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues and must not overlap non_binding_residues. - `FlexibleResidues []int64` 0-indexed residue indices allowed to move during design (e.g. flexible loop regions). All indices must be present in crop_residues. - `NonBindingResidues []int64` 0-indexed residue indices where binder contact should be discouraged. All indices must be present in crop_residues and must not overlap epitope_residues. - `type ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetLigandChainSpec struct{…}` Per-chain specification for a ligand chain in a structure template target. The full ligand is always included. - `ChainType Ligand` - `const LigandLigand Ligand = "ligand"` - `Structure ProteinLibraryScreenResumeResponseInputTargetStructureTemplateTargetResponseStructure` - `URL string` URL to download the file - `URLExpiresAt Time` When the presigned URL expires - `Type StructureTemplate` - `const StructureTemplateStructureTemplate StructureTemplate = "structure_template"` - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponse struct{…}` Target defined by sequences only, without a 3D structure template - `Entities []ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityUnion` Entities (proteins, RNA, DNA, ligands) defining the target complex. - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponse struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Protein` - `const ProteinProtein Protein = "protein"` - `Value string` Amino acid sequence (one-letter codes) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModification` CCD post-translational modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported. - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` Modification format. Only CCD polymer modifications are supported. - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponse struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Rna` - `const RnaRna Rna = "rna"` - `Value string` RNA nucleotide sequence (A, C, G, U, N) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModification` CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported. - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` Modification format. Only CCD polymer modifications are supported. - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponse struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Dna` - `const DnaDna Dna = "dna"` - `Value string` DNA nucleotide sequence (A, C, G, T, N) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModification` CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported. - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` Modification format. Only CCD polymer modifications are supported. - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityLigandCcdEntityResponse struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandCcd` - `const LigandCcdLigandCcd LigandCcd = "ligand_ccd"` - `Value string` CCD code (e.g., ATP, ADP) - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseEntityLigandSmilesEntityResponse struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandSmiles` - `const LigandSmilesLigandSmiles LigandSmiles = "ligand_smiles"` - `Value string` SMILES string representing the ligand - `Type NoTemplate` - `const NoTemplateNoTemplate NoTemplate = "no_template"` - `Bonds []ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBond` Covalent bond constraints between atoms in the target complex. Ligand atom references support CCD atom names and explicitly atom-mapped SMILES atoms. - `Atom1 ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBondAtom1Union` Ligand atom reference for a CCD atom or an explicitly atom-mapped SMILES atom. - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBondAtom1LigandAtomResponse struct{…}` Ligand atom reference for a CCD atom or an explicitly atom-mapped SMILES atom. - `AtomName string` Atom name. For ligand_ccd, use the standardized CIF atom name. For ligand_smiles, explicitly label the atom with numeric atom-map notation: [C:1] is referenced as C1 and [O:2] as O2. The resulting name must be unique within the molecule and at most four characters. - `ChainID string` Chain ID containing the atom - `Type LigandAtom` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBondAtom1PolymerAtomResponse struct{…}` - `AtomName string` Standardized atom name (verifiable in CIF file on RCSB) - `ChainID string` Chain ID containing the atom - `ResidueIndex int64` 0-based residue index - `Type PolymerAtom` - `const PolymerAtomPolymerAtom PolymerAtom = "polymer_atom"` - `Atom2 ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBondAtom2Union` Ligand atom reference for a CCD atom or an explicitly atom-mapped SMILES atom. - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBondAtom2LigandAtomResponse struct{…}` Ligand atom reference for a CCD atom or an explicitly atom-mapped SMILES atom. - `AtomName string` Atom name. For ligand_ccd, use the standardized CIF atom name. For ligand_smiles, explicitly label the atom with numeric atom-map notation: [C:1] is referenced as C1 and [O:2] as O2. The resulting name must be unique within the molecule and at most four characters. - `ChainID string` Chain ID containing the atom - `Type LigandAtom` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseBondAtom2PolymerAtomResponse struct{…}` - `AtomName string` Standardized atom name (verifiable in CIF file on RCSB) - `ChainID string` Chain ID containing the atom - `ResidueIndex int64` 0-based residue index - `Type PolymerAtom` - `const PolymerAtomPolymerAtom PolymerAtom = "polymer_atom"` - `Constraints []ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintUnion` Structural constraints (pocket and contact). Ligand atom references support CCD atom names and explicitly atom-mapped SMILES atoms. - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintPocketConstraintResponse struct{…}` Constrains the binder to interact with specific pocket residues on the target. - `BinderChainID string` Chain ID of the binder molecule - `ContactResidues map[string, []int64]` Binding pocket residues keyed by chain ID. Each key is a chain ID (e.g. "A") and the value is an array of 0-indexed residue indices that define the pocket on that chain. - `MaxDistanceAngstrom float64` Maximum allowed distance in Angstroms between binder and pocket residues. Typical range: 4-8 A. - `Type Pocket` - `const PocketPocket Pocket = "pocket"` - `Force bool` Whether to force the constraint - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponse struct{…}` Maximum-distance contact constraint between two polymer residues or ligand atoms. - `MaxDistanceAngstrom float64` Maximum distance in Angstroms - `Token1 ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1Union` Ligand contact token for a CCD atom or an explicitly atom-mapped SMILES atom. - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1PolymerContactTokenResponse struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1LigandContactTokenResponse struct{…}` Ligand contact token for a CCD atom or an explicitly atom-mapped SMILES atom. - `AtomName string` Atom name. For ligand_ccd, use the standardized CIF atom name. For ligand_smiles, explicitly label the atom with numeric atom-map notation: [C:1] is referenced as C1 and [O:2] as O2. The resulting name must be unique within the molecule and at most four characters. - `ChainID string` Chain ID - `Type LigandContact` - `const LigandContactLigandContact LigandContact = "ligand_contact"` - `Token2 ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2Union` Ligand contact token for a CCD atom or an explicitly atom-mapped SMILES atom. - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2PolymerContactTokenResponse struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenResumeResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2LigandContactTokenResponse struct{…}` Ligand contact token for a CCD atom or an explicitly atom-mapped SMILES atom. - `AtomName string` Atom name. For ligand_ccd, use the standardized CIF atom name. For ligand_smiles, explicitly label the atom with numeric atom-map notation: [C:1] is referenced as C1 and [O:2] as O2. The resulting name must be unique within the molecule and at most four characters. - `ChainID string` Chain ID - `Type LigandContact` - `const LigandContactLigandContact LigandContact = "ligand_contact"` - `Type Contact` - `const ContactContact Contact = "contact"` - `Force bool` Whether to force the constraint - `EpitopeLigandChains []string` Chain IDs of ligand entities that are part of the binding epitope. Ligands are marked as epitope in full (no residue-level selection). - `EpitopeResidues map[string, []int64]` Polymer chain residues where binder contact is desired (the epitope). Each key is a chain ID of a polymer entity, each value is an array of 0-indexed residue indices. Residues must not overlap non_binding_residues on the same chain. - `NonBindingResidues map[string, []int64]` Polymer chain residues where binder contact should be discouraged. Each key is a chain ID of a polymer entity, each value is an array of 0-indexed residue indices. Residues must not overlap epitope_residues on the same chain. - `Livemode bool` Whether this resource was created with a live API key. - `Pipeline Boltzprot` Pipeline used for protein library screen - `const BoltzprotBoltzprot Boltzprot = "boltzprot"` - `PipelineVersion String1_0` Pipeline version used for protein library screen - `const String1_01_0 String1_0 = "1.0"` - `Progress ProteinLibraryScreenResumeResponseProgress` - `NumProteinsFailed int64` Number of accepted proteins that reached terminal failure during screening. - `NumProteinsScreened int64` Number of accepted proteins that produced usable screening results. - `TotalProteinsToScreen int64` Total number of proteins accepted into the screening run. - `LatestResultID string` ID of the latest result - `StartedAt Time` - `Status ProteinLibraryScreenResumeResponseStatus` - `const ProteinLibraryScreenResumeResponseStatusPending ProteinLibraryScreenResumeResponseStatus = "pending"` - `const ProteinLibraryScreenResumeResponseStatusRunning ProteinLibraryScreenResumeResponseStatus = "running"` - `const ProteinLibraryScreenResumeResponseStatusSucceeded ProteinLibraryScreenResumeResponseStatus = "succeeded"` - `const ProteinLibraryScreenResumeResponseStatusFailed ProteinLibraryScreenResumeResponseStatus = "failed"` - `const ProteinLibraryScreenResumeResponseStatusStopped ProteinLibraryScreenResumeResponseStatus = "stopped"` - `StoppedAt Time` - `WorkspaceID string` Workspace ID - `IdempotencyKey string` Client-provided idempotency key ### Example ```go package main import ( "context" "fmt" "github.com/boltz-bio/boltz-api-go" "github.com/boltz-bio/boltz-api-go/option" ) func main() { client := boltzapi.NewClient( option.WithAPIKey("My API Key"), ) response, err := client.Protein.LibraryScreen.Resume(context.TODO(), "id") if err != nil { panic(err.Error()) } fmt.Printf("%+v\n", response.ID) } ``` #### Response ```json { "id": "id", "completed_at": "2019-12-27T18:11:19.117Z", "created_at": "2019-12-27T18:11:19.117Z", "data_deleted_at": "2019-12-27T18:11:19.117Z", "engine": "boltzprot", "engine_version": "1.0", "error": { "code": "code", "message": "message", "details": {} }, "input": { "proteins": { "url": "https://example.com", "url_expires_at": "2019-12-27T18:11:19.117Z" }, "target": { "chain_selection": { "A": { "chain_type": "polymer", "crop_residues": [ 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12 ], "epitope_residues": [ 10, 11, 12 ], "flexible_residues": [ 5, 6, 7 ], "non_binding_residues": [ 0, 1, 2 ] } }, "structure": { "url": "https://example.com", "url_expires_at": "2019-12-27T18:11:19.117Z" }, "type": "structure_template" } }, "livemode": true, "pipeline": "boltzprot", "pipeline_version": "1.0", "progress": { "num_proteins_failed": 0, "num_proteins_screened": 0, "total_proteins_to_screen": 1, "latest_result_id": "latest_result_id" }, "started_at": "2019-12-27T18:11:19.117Z", "status": "pending", "stopped_at": "2019-12-27T18:11:19.117Z", "workspace_id": "workspace_id", "idempotency_key": "idempotency_key" } ```