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.

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 []ProteinLibraryScreenListResultsResponseEntityProteinEntityModificationOptional

CCD post-translational modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Modification format. Only CCD polymer modifications are supported.

Value string

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

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 []ProteinLibraryScreenListResultsResponseEntityRnaEntityModificationOptional

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Modification format. Only CCD polymer modifications are supported.

Value string

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

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 []ProteinLibraryScreenListResultsResponseEntityDnaEntityModificationOptional

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

ResidueIndex int64

0-based index of the residue to modify

minimum0

Type Ccd

Modification format. Only CCD polymer modifications are supported.

Value string

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

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"
}