Get protein library screen status

client.Protein.LibraryScreen.Get(ctx, id, query) (*ProteinLibraryScreenGetResponse, error)

GET/compute/v1/protein/library-screen/{id}

Retrieve a library screen by ID, including progress and status

ParametersExpand Collapse

id string

query ProteinLibraryScreenGetParams

WorkspaceID param.Field[string]optional

Workspace ID. Only used with admin API keys. Ignored (or validated) for workspace-scoped keys.

ReturnsExpand Collapse

type ProteinLibraryScreenGetResponse struct{…}

A protein library screening engine run

ID string

Unique ProteinLibraryScreen 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 BoltzProteinScreen

Engine used for protein library screen

EngineVersion string

Engine version used for protein library screen

Error ProteinLibraryScreenGetResponseError

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 ProteinLibraryScreenGetResponseInput

Pipeline input (null if data deleted)

Proteins ProteinLibraryScreenGetResponseInputProteins

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Target ProteinLibraryScreenGetResponseInputTargetUnion

Target specification (structure template or template-free)

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponse struct{…}

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

ChainSelection map[string, ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponseChainSelectionUnion]

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 ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpec struct{…}

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

ChainType Polymer

CropResidues ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion

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 ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesArray []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 ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetLigandChainSpec struct{…}

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

ChainType Ligand

Structure ProteinLibraryScreenGetResponseInputTargetStructureTemplateTargetResponseStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Type StructureTemplate

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponse struct{…}

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

Entities []ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityUnion

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponse 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 []ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationCcdModificationResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponse 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 []ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationCcdModificationResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponse 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 []ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationCcdModificationResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationSmilesModificationResponse struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityLigandCcdEntityResponse struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandCcd

Value string

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

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseEntityLigandSmilesEntityResponse struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandSmiles

Value string

SMILES string representing the ligand

Type NoTemplate

Bonds []ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondoptional

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

Atom1 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondAtom1Union

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondAtom1LigandAtomResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondAtom1PolymerAtomResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondAtom2Union

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondAtom2LigandAtomResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseBondAtom2PolymerAtomResponse 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 []ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintPocketConstraintResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1Union

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1PolymerContactTokenResponse struct{…}

ChainID string

Chain ID

ResidueIndex int64

0-based residue index

minimum0

Type PolymerContact

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1LigandContactTokenResponse 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 ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2Union

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

Accepts one of the following:

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2PolymerContactTokenResponse struct{…}

ChainID string

Chain ID

ResidueIndex int64

0-based residue index

minimum0

Type PolymerContact

type ProteinLibraryScreenGetResponseInputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2LigandContactTokenResponse 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.

Livemode bool

Whether this resource was created with a live API key.

Progress ProteinLibraryScreenGetResponseProgress

NumProteinsFailed int64

Number of accepted proteins that reached terminal failure during screening.

minimum0

NumProteinsScreened int64

Number of accepted proteins that produced usable screening results.

minimum0

TotalProteinsToScreen int64

Total number of proteins accepted into the screening run.

minimum1

LatestResultID stringoptional

ID of the latest result

StartedAt Time

formatdate-time

Status ProteinLibraryScreenGetResponseStatus

Accepts one of the following:

const ProteinLibraryScreenGetResponseStatusPending ProteinLibraryScreenGetResponseStatus = "pending"

const ProteinLibraryScreenGetResponseStatusRunning ProteinLibraryScreenGetResponseStatus = "running"

const ProteinLibraryScreenGetResponseStatusSucceeded ProteinLibraryScreenGetResponseStatus = "succeeded"

const ProteinLibraryScreenGetResponseStatusFailed ProteinLibraryScreenGetResponseStatus = "failed"

const ProteinLibraryScreenGetResponseStatusStopped ProteinLibraryScreenGetResponseStatus = "stopped"

StoppedAt Time

formatdate-time

WorkspaceID string

Workspace ID

IdempotencyKey stringoptional

Client-provided idempotency key

Get protein library screen status

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"),
  )
  libraryScreen, err := client.Protein.LibraryScreen.Get(
    context.TODO(),
    "id",
    boltzapi.ProteinLibraryScreenGetParams{

    },
  )
  if err != nil {
    panic(err.Error())
  }
  fmt.Printf("%+v\n", libraryScreen.ID)
}

{
  "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-screen",
  "engine_version": "engine_version",
  "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
          ]
        }
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template"
    }
  },
  "livemode": true,
  "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"
}

Returns Examples

{
  "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-screen",
  "engine_version": "engine_version",
  "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
          ]
        }
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template"
    }
  },
  "livemode": true,
  "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"
}