API Reference

Protein

Design

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Stop a running protein design run

client.Protein.Design.Stop(ctx, id) (*ProteinDesignStopResponse, error)

POST/compute/v1/protein/design/{id}/stop

Stop an in-progress protein design run early

ParametersExpand Collapse

id string

ReturnsExpand Collapse

type ProteinDesignStopResponse struct{…}

A protein design engine run that generates novel protein binders

ID string

Unique ProteinDesignRun identifier

CompletedAt Time

formatdate-time

CreatedAt Time

formatdate-time

DataDeletedAt Time

When the input, output, and result data was permanently deleted. Null if data has not been deleted.

formatdate-time

Engine BoltzProteinDesign

Engine used for protein design

EngineVersion string

Engine version used for protein design

Error ProteinDesignStopResponseError

Code string

Machine-readable error code

Message string

Human-readable error message

Details anyoptional

Additional field-level error details keyed by input path, when available.

Input ProteinDesignStopResponseInput

Pipeline input (null if data deleted)

BinderSpecification ProteinDesignStopResponseInputBinderSpecificationUnion

Binder specification for protein design. Use no_template for sequence-defined binders, structure_template for uploaded binder structures, or boltz_curated for Boltz-managed nanobody and antibody defaults.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponse struct{…}

Binder specification starting from an existing 3D structure. Upload a CIF/PDB file and select which chains to include, which residues to keep, and which regions to redesign. Only chains included in chain_selection are part of the engine run.

ChainSelection map[string, ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionUnion]

Chains selected from the uploaded binder 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 (crop_residues). Omit design_motifs to include the chain as fixed scaffold context.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpec struct{…}

Per-chain crop and design specification for a polymer chain in structure_template mode.

ChainType Polymer

CropResidues ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecCropResiduesUnion

0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are removed before design.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecCropResiduesArray []int64

type All string

DesignMotifs []ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifUnionoptional

Optional motifs (replacement or insertion) defining which regions to redesign on this chain. Omit this field to include the chain as fixed scaffold context.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifReplacementMotif struct{…}

Replace a contiguous region of the sequence with a designed segment. Residues from start_index to end_index (inclusive) are replaced with a new sequence of the specified length.

DesignLengthRange ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifReplacementMotifDesignLengthRange

Allowed sequence length range for designed regions

Max int64

Maximum sequence length in residues. Must be >= min.

minimum0

Min int64

Minimum sequence length in residues

minimum0

EndIndex int64

0-indexed end residue (inclusive)

minimum0

StartIndex int64

0-indexed start residue (inclusive)

minimum0

Type Replacement

type ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifInsertionMotif struct{…}

Insert a designed segment at a specific position in the sequence.

AfterResidueIndex int64

0-indexed position after which to insert. Use -1 to insert before the first residue.

minimum-1

DesignLengthRange ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifInsertionMotifDesignLengthRange

Allowed sequence length range for designed regions

Max int64

Maximum sequence length in residues. Must be >= min.

minimum0

Min int64

Minimum sequence length in residues

minimum0

Type Insertion

type ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplateLigandChainSpec struct{…}

Per-chain specification for a ligand chain in structure_template mode. The full ligand is always included.

ChainType Ligand

Modality ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModality

Accepts one of the following:

const ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModalityPeptide ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModality = "peptide"

const ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModalityAntibody ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModality = "antibody"

const ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModalityNanobody ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModality = "nanobody"

const ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModalityCustomProtein ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseModality = "custom_protein"

Structure ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Type StructureTemplate

Rules ProteinDesignStopResponseInputBinderSpecificationStructureTemplateBinderSpecResponseRulesoptional

Constraints applied during sequence design

ExcludedAminoAcids []stringoptional

Single-letter amino acid codes to exclude from design (e.g. ['C', 'P'] to exclude cysteine and proline)

ExcludedSequenceMotifs []stringoptional

Sequence motifs to exclude from designed regions. Designs containing any of these motifs are filtered out before scoring. Use X as a single-residue wildcard (e.g. "NGS", "NXS").

MaxHydrophobicFraction float64optional

Maximum allowed fraction of hydrophobic residues (I, L, V, M, F, W) in designed regions. Designs exceeding this threshold are filtered out before scoring. Leave empty to disable.

minimum0

maximum1

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponse struct{…}

Binder specification without a structural template. Define the binder from sequence components (fixed and designed segments) without providing a starting 3D structure.

Entities []ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityUnion

Binder entities composing the design. At least one must be a designed_protein entity. Additional fixed entities (RNA, DNA, ligands) can be included as part of the complex.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponse struct{…}

Protein binder entity with designed and/or fixed segments.

ChainIDs []string

Chain IDs to assign to this entity

Type DesignedProtein

Value string

Binder sequence specification. Fixed amino acids are written as literal single-letter codes. Designed regions are written as a length (fixed) or a length range (min..max). Example: "MKTAYI5..10VKSHFSRQ" means fixed MKTAYI, then 5-10 designed residues, then fixed VKSHFSRQ. "20" means 20 fully designed residues. "ACDE8GHI" means fixed ACDE, then 8 designed residues, then fixed GHI.

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponseModificationUnionoptional

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponse struct{…}

A fixed protein entity whose sequence is not redesigned.

ChainIDs []string

Chain IDs to assign to this entity

Type Protein

Value string

Amino acid sequence (one-letter codes)

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponseModificationUnionoptional

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponse struct{…}

ChainIDs []string

Chain IDs to assign to this entity

Type Rna

Value string

RNA nucleotide sequence (A, C, G, U, N)

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponseModificationUnionoptional

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponse struct{…}

ChainIDs []string

Chain IDs to assign to this entity

Type Dna

Value string

DNA nucleotide sequence (A, C, G, T, N)

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponseModificationUnionoptional

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedLigandSmilesEntityResponse struct{…}

ChainIDs []string

Chain IDs to assign to this entity

Type LigandSmiles

Value string

SMILES string representing the ligand

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedLigandCcdEntityResponse struct{…}

ChainIDs []string

Chain IDs to assign to this entity

Type LigandCcd

Value string

CCD code from RCSB PDB (e.g. 'ATP', 'ADP')

Modality ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModality

Accepts one of the following:

const ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModalityPeptide ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModality = "peptide"

const ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModalityAntibody ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModality = "antibody"

const ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModalityNanobody ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModality = "nanobody"

const ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModalityCustomProtein ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseModality = "custom_protein"

Type NoTemplate

Bonds []ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondoptional

Covalent bond constraints between atoms in the binder complex. If defining bonds where an atom is part of a designed protein chain, assume residue indices count designed regions as the minimum length. Example: designed protein "1..3C1..2", "C" is residue 1 (0-indexed) of the designed protein.

Atom1 ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondAtom1Union

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondAtom1LigandAtomResponse 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

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondAtom1PolymerAtomResponse 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

minimum0

Type PolymerAtom

Atom2 ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondAtom2Union

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondAtom2LigandAtomResponse 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

type ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseBondAtom2PolymerAtomResponse 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

minimum0

Type PolymerAtom

Rules ProteinDesignStopResponseInputBinderSpecificationNoTemplateBinderSpecResponseRulesoptional

Constraints applied during sequence design

ExcludedAminoAcids []stringoptional

Single-letter amino acid codes to exclude from design (e.g. ['C', 'P'] to exclude cysteine and proline)

ExcludedSequenceMotifs []stringoptional

Sequence motifs to exclude from designed regions. Designs containing any of these motifs are filtered out before scoring. Use X as a single-residue wildcard (e.g. "NGS", "NXS").

MaxHydrophobicFraction float64optional

Maximum allowed fraction of hydrophobic residues (I, L, V, M, F, W) in designed regions. Designs exceeding this threshold are filtered out before scoring. Leave empty to disable.

minimum0

maximum1

type ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponse struct{…}

Boltz-managed curated binder specification. Choose a curated nanobody or antibody family and Boltz will select from maintained template lists during design. The curated lists are managed by Boltz and may be updated over time to improve quality and coverage.

Binder ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponseBinder

Boltz-managed curated binder family. Boltz maintains and may update the underlying template lists on behalf of customers.

Accepts one of the following:

const ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponseBinderBoltzNanobody ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponseBinder = "boltz_nanobody"

const ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponseBinderBoltzAntibody ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponseBinder = "boltz_antibody"

Type BoltzCurated

Rules ProteinDesignStopResponseInputBinderSpecificationBoltzCuratedBinderSpecResponseRulesoptional

Constraints applied during sequence design

ExcludedAminoAcids []stringoptional

Single-letter amino acid codes to exclude from design (e.g. ['C', 'P'] to exclude cysteine and proline)

ExcludedSequenceMotifs []stringoptional

Sequence motifs to exclude from designed regions. Designs containing any of these motifs are filtered out before scoring. Use X as a single-residue wildcard (e.g. "NGS", "NXS").

MaxHydrophobicFraction float64optional

Maximum allowed fraction of hydrophobic residues (I, L, V, M, F, W) in designed regions. Designs exceeding this threshold are filtered out before scoring. Leave empty to disable.

minimum0

maximum1

NumProteins int64

Number of protein designs to generate. Must be between 10 and 1,000,000.

minimum10

maximum1000000

Target ProteinDesignStopResponseInputTargetUnion

Target specification (structure template or template-free)

Accepts one of the following:

type ProteinDesignStopResponseInputTargetStructureTemplateTargetResponse struct{…}

Target defined by an uploaded 3D structure (CIF or PDB file). Only chains included in chain_selection are used.

ChainSelection map[string, ProteinDesignStopResponseInputTargetStructureTemplateTargetResponseChainSelectionUnion]

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.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpec struct{…}

Per-chain specification for a polymer (protein/RNA/DNA) chain in a structure template target.

ChainType Polymer

CropResidues ProteinDesignStopResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion

0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are excluded from the engine run.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesArray []int64

0-indexed residue indices to keep

type All string

EpitopeResidues []int64optional

0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues.

FlexibleResidues []int64optional

0-indexed residue indices allowed to move during design (e.g. flexible loop regions). All indices must be present in crop_residues.

type ProteinDesignStopResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetLigandChainSpec struct{…}

Per-chain specification for a ligand chain in a structure template target. The full ligand is always included.

ChainType Ligand

Structure ProteinDesignStopResponseInputTargetStructureTemplateTargetResponseStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Type StructureTemplate

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponse struct{…}

Target defined by sequences only, without a 3D structure template

Entities []ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityUnion

Entities (proteins, RNA, DNA, ligands) defining the target complex.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponse struct{…}

ChainIDs []string

Chain IDs for this entity

Type Protein

Value string

Amino acid sequence (one-letter codes)

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationUnionoptional

Post-translational modifications. Optional; defaults to an empty list when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponse struct{…}

ChainIDs []string

Chain IDs for this entity

Type Rna

Value string

RNA nucleotide sequence (A, C, G, U, N)

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationUnionoptional

Chemical modifications. Optional; defaults to an empty list when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponse struct{…}

ChainIDs []string

Chain IDs for this entity

Type Dna

Value string

DNA nucleotide sequence (A, C, G, T, N)

Cyclic booloptional

Whether the sequence is cyclic

Modifications []ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationUnionoptional

Chemical modifications. Optional; defaults to an empty list when omitted.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationCcdModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Value string

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityLigandCcdEntityResponse struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandCcd

Value string

CCD code (e.g., ATP, ADP)

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseEntityLigandSmilesEntityResponse struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandSmiles

Value string

SMILES string representing the ligand

Type NoTemplate

Bonds []ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondoptional

Covalent bond constraints between atoms in the target complex. Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported.

Atom1 ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondAtom1Union

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondAtom1LigandAtomResponse 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

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondAtom1PolymerAtomResponse 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

minimum0

Type PolymerAtom

Atom2 ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondAtom2Union

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondAtom2LigandAtomResponse 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

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseBondAtom2PolymerAtomResponse 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

minimum0

Type PolymerAtom

Constraints []ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintUnionoptional

Structural constraints (pocket and contact). Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintPocketConstraintResponse 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

Force booloptional

Whether to force the constraint

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponse 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 ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1Union

Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1PolymerContactTokenResponse struct{…}

ChainID string

Chain ID

ResidueIndex int64

0-based residue index

minimum0

Type PolymerContact

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1LigandContactTokenResponse 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

Token2 ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2Union

Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2PolymerContactTokenResponse struct{…}

ChainID string

Chain ID

ResidueIndex int64

0-based residue index

minimum0

Type PolymerContact

type ProteinDesignStopResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2LigandContactTokenResponse 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

Type Contact

Force booloptional

Whether to force the constraint

EpitopeLigandChains []stringoptional

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]optional

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 stringoptional

Client-provided key to prevent duplicate submissions on retries

maxLength255

WorkspaceID stringoptional

Target workspace ID (admin keys only; ignored for workspace keys)

Livemode bool

Whether this resource was created with a live API key.

Progress ProteinDesignStopResponseProgress

NumProteinsGenerated int64

Number of protein binders generated so far

minimum0

TotalProteinsToGenerate int64

Total number of protein binders requested

minimum1

LatestResultID stringoptional

ID of the most recently generated result

StartedAt Time

formatdate-time

Status ProteinDesignStopResponseStatus

Accepts one of the following:

const ProteinDesignStopResponseStatusPending ProteinDesignStopResponseStatus = "pending"

const ProteinDesignStopResponseStatusRunning ProteinDesignStopResponseStatus = "running"

const ProteinDesignStopResponseStatusSucceeded ProteinDesignStopResponseStatus = "succeeded"

const ProteinDesignStopResponseStatusFailed ProteinDesignStopResponseStatus = "failed"

const ProteinDesignStopResponseStatusStopped ProteinDesignStopResponseStatus = "stopped"

StoppedAt Time

formatdate-time

WorkspaceID string

Workspace ID

IdempotencyKey stringoptional

Client-provided idempotency key

Stop a running protein design run

Go

HTTP

TypeScript

Python

Go

CLI Tool

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.Design.Stop(context.TODO(), "id")
  if err != nil {
    panic(err.Error())
  }
  fmt.Printf("%+v\n", response.ID)
}

200 example

{
  "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": "boltz-protein-design",
  "engine_version": "engine_version",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "input": {
    "binder_specification": {
      "chain_selection": {
        "B": {
          "chain_type": "polymer",
          "crop_residues": [
            0,
            1,
            2,
            3,
            4,
            5,
            6,
            7,
            8,
            9
          ],
          "design_motifs": [
            {
              "design_length_range": {
                "max": 8,
                "min": 4
              },
              "end_index": 5,
              "start_index": 0,
              "type": "replacement"
            }
          ]
        }
      },
      "modality": "peptide",
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template",
      "rules": {
        "excluded_amino_acids": [
          "x"
        ],
        "excluded_sequence_motifs": [
          "string"
        ],
        "max_hydrophobic_fraction": 0
      }
    },
    "num_proteins": 10,
    "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
          ]
        }
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template"
    },
    "idempotency_key": "idempotency_key",
    "workspace_id": "workspace_id"
  },
  "livemode": true,
  "progress": {
    "num_proteins_generated": 0,
    "total_proteins_to_generate": 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"
}

Returns Examples

200 example

{
  "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": "boltz-protein-design",
  "engine_version": "engine_version",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "input": {
    "binder_specification": {
      "chain_selection": {
        "B": {
          "chain_type": "polymer",
          "crop_residues": [
            0,
            1,
            2,
            3,
            4,
            5,
            6,
            7,
            8,
            9
          ],
          "design_motifs": [
            {
              "design_length_range": {
                "max": 8,
                "min": 4
              },
              "end_index": 5,
              "start_index": 0,
              "type": "replacement"
            }
          ]
        }
      },
      "modality": "peptide",
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template",
      "rules": {
        "excluded_amino_acids": [
          "x"
        ],
        "excluded_sequence_motifs": [
          "string"
        ],
        "max_hydrophobic_fraction": 0
      }
    },
    "num_proteins": 10,
    "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
          ]
        }
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template"
    },
    "idempotency_key": "idempotency_key",
    "workspace_id": "workspace_id"
  },
  "livemode": true,
  "progress": {
    "num_proteins_generated": 0,
    "total_proteins_to_generate": 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"
}