Get screened protein candidates

client.Protein.LibraryScreen.ListResults(ctx, id, query) (*CursorPage[ProteinLibraryScreenListResultsResponse], error)

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

Retrieve paginated results from a protein library screen

ParametersExpand Collapse

id string

query ProteinLibraryScreenListResultsParams

AfterID param.Field[string]optional

Return results after this ID

BeforeID param.Field[string]optional

Return results before this ID

Limit param.Field[int64]optional

Max results to return. Defaults to 100.

minimum1

maximum1000

WorkspaceID param.Field[string]optional

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

ReturnsExpand Collapse

type ProteinLibraryScreenListResultsResponse struct{…}

Result for a single screened protein

ID string

Unique result ID

Artifacts ProteinLibraryScreenListResultsResponseArtifacts

Archive ProteinLibraryScreenListResultsResponseArtifactsArchive

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Structure ProteinLibraryScreenListResultsResponseArtifactsStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

CreatedAt Time

formatdate-time

Entities []ProteinLibraryScreenListResultsResponseEntityUnion

Entities of the screened complex. Includes both screened and fixed entities from the input.

Accepts one of the following:

type ProteinLibraryScreenListResultsResponseEntityProteinEntity 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 []ProteinLibraryScreenListResultsResponseEntityProteinEntityModificationUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenListResultsResponseEntityProteinEntityModificationCcdModification 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 ProteinLibraryScreenListResultsResponseEntityProteinEntityModificationSmilesModification struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinLibraryScreenListResultsResponseEntityRnaEntity 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 []ProteinLibraryScreenListResultsResponseEntityRnaEntityModificationUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenListResultsResponseEntityRnaEntityModificationCcdModification 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 ProteinLibraryScreenListResultsResponseEntityRnaEntityModificationSmilesModification struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinLibraryScreenListResultsResponseEntityDnaEntity 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 []ProteinLibraryScreenListResultsResponseEntityDnaEntityModificationUnionoptional

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

Accepts one of the following:

type ProteinLibraryScreenListResultsResponseEntityDnaEntityModificationCcdModification 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 ProteinLibraryScreenListResultsResponseEntityDnaEntityModificationSmilesModification struct{…}

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Smiles

Value string

SMILES string for the modification

type ProteinLibraryScreenListResultsResponseEntityLigandCcdEntity struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandCcd

Value string

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

type ProteinLibraryScreenListResultsResponseEntityLigandSmilesEntity struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandSmiles

Value string

SMILES string representing the ligand

Metrics ProteinLibraryScreenListResultsResponseMetrics

Structural and binding quality metrics for a screened protein

BindingConfidence float64

Confidence that the protein binds the target (0-1). Primary metric for hit discovery.

HelixFraction float64

Fraction of the sequence forming alpha helices (0-1).

Iptm float64

Interface predicted TM score (0-1). Confidence in the protein-protein interface.

LoopFraction float64

Fraction of the sequence in coil/loop regions (0-1).

MinInteractionPae float64

Minimum predicted aligned error at the interface (Angstroms). Lower values indicate higher confidence.

SheetFraction float64

Fraction of the sequence forming beta sheets (0-1).

StructureConfidence float64

Confidence in the predicted 3D structure (0-1).

ExternalID stringoptional

Client-provided identifier for this protein, if provided

Warnings []ProteinLibraryScreenListResultsResponseWarningoptional

Warnings about potential quality issues with this result.

Code string

Machine-readable warning code (e.g. "low_confidence", "unusual_geometry")

Message string

Human-readable description of the warning

Get screened protein candidates

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"),
  )
  page, err := client.Protein.LibraryScreen.ListResults(
    context.TODO(),
    "id",
    boltzapi.ProteinLibraryScreenListResultsParams{

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

{
  "data": [
    {
      "id": "id",
      "artifacts": {
        "archive": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        }
      },
      "created_at": "2019-12-27T18:11:19.117Z",
      "entities": [
        {
          "chain_ids": [
            "string"
          ],
          "type": "protein",
          "value": "value",
          "cyclic": true,
          "modifications": [
            {
              "residue_index": 0,
              "type": "ccd",
              "value": "value"
            }
          ]
        }
      ],
      "metrics": {
        "binding_confidence": 0,
        "helix_fraction": 0,
        "iptm": 0,
        "loop_fraction": 0,
        "min_interaction_pae": 0,
        "sheet_fraction": 0,
        "structure_confidence": 0
      },
      "external_id": "external_id",
      "warnings": [
        {
          "code": "code",
          "message": "message"
        }
      ]
    }
  ],
  "first_id": "first_id",
  "has_more": true,
  "last_id": "last_id"
}

Returns Examples

{
  "data": [
    {
      "id": "id",
      "artifacts": {
        "archive": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        }
      },
      "created_at": "2019-12-27T18:11:19.117Z",
      "entities": [
        {
          "chain_ids": [
            "string"
          ],
          "type": "protein",
          "value": "value",
          "cyclic": true,
          "modifications": [
            {
              "residue_index": 0,
              "type": "ccd",
              "value": "value"
            }
          ]
        }
      ],
      "metrics": {
        "binding_confidence": 0,
        "helix_fraction": 0,
        "iptm": 0,
        "loop_fraction": 0,
        "min_interaction_pae": 0,
        "sheet_fraction": 0,
        "structure_confidence": 0
      },
      "external_id": "external_id",
      "warnings": [
        {
          "code": "code",
          "message": "message"
        }
      ]
    }
  ],
  "first_id": "first_id",
  "has_more": true,
  "last_id": "last_id"
}