## Start `client.Protein.LibraryScreen.Start(ctx, body) (*ProteinLibraryScreenStartResponse, error)` **post** `/compute/v1/protein/library-screen` Screen a set of protein candidates against a target ### Parameters - `body ProteinLibraryScreenStartParams` - `Proteins param.Field[[]ProteinLibraryScreenStartParamsProtein]` List of protein entries to screen. - `Entities []ProteinLibraryScreenStartParamsProteinEntityUnion` Entities that make up this protein complex - `type ProteinLibraryScreenStartParamsProteinEntityProteinEntity 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 []ProteinLibraryScreenStartParamsProteinEntityProteinEntityModificationUnion` Post-translational modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartParamsProteinEntityProteinEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartParamsProteinEntityProteinEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartParamsProteinEntityRnaEntity 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 []ProteinLibraryScreenStartParamsProteinEntityRnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartParamsProteinEntityRnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartParamsProteinEntityRnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartParamsProteinEntityDnaEntity 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 []ProteinLibraryScreenStartParamsProteinEntityDnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartParamsProteinEntityDnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartParamsProteinEntityDnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartParamsProteinEntityLigandCcdEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandCcd` - `const LigandCcdLigandCcd LigandCcd = "ligand_ccd"` - `Value string` CCD code (e.g., ATP, ADP) - `type ProteinLibraryScreenStartParamsProteinEntityLigandSmilesEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandSmiles` - `const LigandSmilesLigandSmiles LigandSmiles = "ligand_smiles"` - `Value string` SMILES string representing the ligand - `ID string` Optional client-provided identifier for this entry - `Target param.Field[ProteinLibraryScreenStartParamsTargetUnion]` Target specification (structure template or template-free) - `type ProteinLibraryScreenStartParamsTargetStructureTemplateTarget struct{…}` Target defined by an uploaded 3D structure (CIF or PDB file). Only chains included in chain_selection are used. - `ChainSelection map[string, ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionUnion]` Chains selected from the uploaded structure, keyed by chain ID. Only chains listed here are included in the engine run — any chains omitted from this mapping are ignored. Each value defines which residues to keep, which are epitope residues, and which are flexible. - `type ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpec struct{…}` Per-chain specification for a polymer (protein/RNA/DNA) chain in a structure template target. - `ChainType Polymer` - `const PolymerPolymer Polymer = "polymer"` - `CropResidues ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion` 0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are excluded from the engine run. - `type ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesArray []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. - `FlexibleResidues []int64` 0-indexed residue indices allowed to move during design (e.g. flexible loop regions). All indices must be present in crop_residues. - `type ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetLigandChainSpec 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 ProteinLibraryScreenStartParamsTargetStructureTemplateTargetStructureUnion` How to provide a CIF structure file. URLs are auto-detected; base64 uploads must use chemical/x-cif media type. - `type ProteinLibraryScreenStartParamsTargetStructureTemplateTargetStructureURLSource struct{…}` - `Type URL` - `const URLURL URL = "url"` - `URL string` - `type ProteinLibraryScreenStartParamsTargetStructureTemplateTargetStructureCifBase64Source struct{…}` - `Data string` Base64-encoded CIF file contents - `MediaType ChemicalXCif` Must be chemical/x-cif for CIF files - `const ChemicalXCifChemicalXCif ChemicalXCif = "chemical/x-cif"` - `Type Base64` - `const Base64Base64 Base64 = "base64"` - `Type StructureTemplate` - `const StructureTemplateStructureTemplate StructureTemplate = "structure_template"` - `type ProteinLibraryScreenStartParamsTargetNoTemplateTarget struct{…}` Target defined by sequences only, without a 3D structure template - `Entities []ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityUnion` Entities (proteins, RNA, DNA, ligands) defining the target complex. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityProteinEntity 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 []ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityProteinEntityModificationUnion` Post-translational modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityProteinEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityProteinEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityRnaEntity 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 []ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityRnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityRnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityRnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityDnaEntity 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 []ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityDnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityDnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityDnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityLigandCcdEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandCcd` - `const LigandCcdLigandCcd LigandCcd = "ligand_ccd"` - `Value string` CCD code (e.g., ATP, ADP) - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetEntityLigandSmilesEntity 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 []ProteinLibraryScreenStartParamsTargetNoTemplateTargetBond` Covalent bond constraints between atoms in the target complex. Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported. - `Atom1 ProteinLibraryScreenStartParamsTargetNoTemplateTargetBondAtom1Union` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetBondAtom1LigandAtom struct{…}` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `ChainID string` Chain ID containing the atom - `Type LigandAtom` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetBondAtom1PolymerAtom 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 ProteinLibraryScreenStartParamsTargetNoTemplateTargetBondAtom2Union` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetBondAtom2LigandAtom struct{…}` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `ChainID string` Chain ID containing the atom - `Type LigandAtom` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetBondAtom2PolymerAtom 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 []ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintUnion` Structural constraints (pocket and contact). Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintPocketConstraint 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 ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraint struct{…}` Contact constraint between two tokens. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `MaxDistanceAngstrom float64` Maximum distance in Angstroms - `Token1 ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraintToken1Union` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraintToken1PolymerContactToken struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraintToken1LigandContactToken struct{…}` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Atom name. Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `ChainID string` Chain ID - `Type LigandContact` - `const LigandContactLigandContact LigandContact = "ligand_contact"` - `Token2 ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraintToken2Union` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraintToken2PolymerContactToken struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenStartParamsTargetNoTemplateTargetConstraintContactConstraintToken2LigandContactToken struct{…}` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Atom name. Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `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. - `IdempotencyKey param.Field[string]` Client-provided key to prevent duplicate submissions on retries - `WorkspaceID param.Field[string]` Target workspace ID (admin keys only; ignored for workspace keys) ### Returns - `type ProteinLibraryScreenStartResponse struct{…}` A protein library screening engine 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 BoltzProteinScreen` Engine used for protein library screen - `const BoltzProteinScreenBoltzProteinScreen BoltzProteinScreen = "boltz-protein-screen"` - `EngineVersion string` Engine version used for protein library screen - `Error ProteinLibraryScreenStartResponseError` - `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 ProteinLibraryScreenStartResponseInput` Pipeline input (null if data deleted) - `Proteins ProteinLibraryScreenStartResponseInputProteins` - `URL string` URL to download the file - `URLExpiresAt Time` When the presigned URL expires - `Target ProteinLibraryScreenStartResponseInputTargetUnion` Target specification (structure template or template-free) - `type ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponse struct{…}` Target defined by an uploaded 3D structure (CIF or PDB file). Only chains included in chain_selection are used. - `ChainSelection map[string, ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponseChainSelectionUnion]` Chains selected from the uploaded structure, keyed by chain ID. Only chains listed here are included in the engine run — any chains omitted from this mapping are ignored. Each value defines which residues to keep, which are epitope residues, and which are flexible. - `type ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpec struct{…}` Per-chain specification for a polymer (protein/RNA/DNA) chain in a structure template target. - `ChainType Polymer` - `const PolymerPolymer Polymer = "polymer"` - `CropResidues ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion` 0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are excluded from the engine run. - `type ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesArray []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. - `FlexibleResidues []int64` 0-indexed residue indices allowed to move during design (e.g. flexible loop regions). All indices must be present in crop_residues. - `type ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetLigandChainSpec 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 ProteinLibraryScreenStartResponseInputTargetStructureTemplateTargetResponseStructure` - `URL string` URL to download the file - `URLExpiresAt Time` When the presigned URL expires - `Type StructureTemplate` - `const StructureTemplateStructureTemplate StructureTemplate = "structure_template"` - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponse struct{…}` Target defined by sequences only, without a 3D structure template - `Entities []ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityUnion` Entities (proteins, RNA, DNA, ligands) defining the target complex. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponse 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 []ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationUnion` Post-translational modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationCcdModificationResponse struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationSmilesModificationResponse struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponse 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 []ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationCcdModificationResponse struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationSmilesModificationResponse struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponse 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 []ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationCcdModificationResponse struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationSmilesModificationResponse struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityLigandCcdEntityResponse struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandCcd` - `const LigandCcdLigandCcd LigandCcd = "ligand_ccd"` - `Value string` CCD code (e.g., ATP, ADP) - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseEntityLigandSmilesEntityResponse 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 []ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBond` Covalent bond constraints between atoms in the target complex. Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported. - `Atom1 ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBondAtom1Union` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBondAtom1LigandAtomResponse struct{…}` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `ChainID string` Chain ID containing the atom - `Type LigandAtom` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBondAtom1PolymerAtomResponse 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 ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBondAtom2Union` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBondAtom2LigandAtomResponse struct{…}` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `ChainID string` Chain ID containing the atom - `Type LigandAtom` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseBondAtom2PolymerAtomResponse 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 []ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintUnion` Structural constraints (pocket and contact). Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintPocketConstraintResponse 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 ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponse struct{…}` Contact constraint between two tokens. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `MaxDistanceAngstrom float64` Maximum distance in Angstroms - `Token1 ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1Union` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1PolymerContactTokenResponse struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1LigandContactTokenResponse struct{…}` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Atom name. Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `ChainID string` Chain ID - `Type LigandContact` - `const LigandContactLigandContact LigandContact = "ligand_contact"` - `Token2 ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2Union` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2PolymerContactTokenResponse struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenStartResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2LigandContactTokenResponse struct{…}` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `AtomName string` Atom name. Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead. - `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. - `Livemode bool` Whether this resource was created with a live API key. - `Progress ProteinLibraryScreenStartResponseProgress` - `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 ProteinLibraryScreenStartResponseStatus` - `const ProteinLibraryScreenStartResponseStatusPending ProteinLibraryScreenStartResponseStatus = "pending"` - `const ProteinLibraryScreenStartResponseStatusRunning ProteinLibraryScreenStartResponseStatus = "running"` - `const ProteinLibraryScreenStartResponseStatusSucceeded ProteinLibraryScreenStartResponseStatus = "succeeded"` - `const ProteinLibraryScreenStartResponseStatusFailed ProteinLibraryScreenStartResponseStatus = "failed"` - `const ProteinLibraryScreenStartResponseStatusStopped ProteinLibraryScreenStartResponseStatus = "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.Start(context.TODO(), boltzapi.ProteinLibraryScreenStartParams{ Proteins: []boltzapi.ProteinLibraryScreenStartParamsProtein{boltzapi.ProteinLibraryScreenStartParamsProtein{ Entities: []boltzapi.ProteinLibraryScreenStartParamsProteinEntityUnion{boltzapi.ProteinLibraryScreenStartParamsProteinEntityUnion{ OfProteinLibraryScreenStartsProteinEntityProteinEntity: &boltzapi.ProteinLibraryScreenStartParamsProteinEntityProteinEntity{ ChainIDs: []string{"string"}, Value: "value", }, }}, }}, Target: boltzapi.ProteinLibraryScreenStartParamsTargetUnion{ OfProteinLibraryScreenStartsTargetStructureTemplateTarget: &boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTarget{ ChainSelection: map[string]boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionUnion{ "A": boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionUnion{ OfProteinLibraryScreenStartsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpec: &boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpec{ CropResidues: boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion{ OfIntArray: []int64{0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12}, }, }, }, }, Structure: boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTargetStructureUnion{ OfProteinLibraryScreenStartsTargetStructureTemplateTargetStructureURLSource: &boltzapi.ProteinLibraryScreenStartParamsTargetStructureTemplateTargetStructureURLSource{ URL: "https://example.com", }, }, }, }, }) if err != nil { panic(err.Error()) } fmt.Printf("%+v\n", response.ID) } ```