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Protein
Library Screen

Get screened protein candidates

$ boltz-api protein:library-screen list-results
GET/compute/v1/protein/library-screen/{id}/results

Retrieve paginated results from a protein library screen

ParametersExpand Collapse
--id: string

Library screen ID

--after-id: optional string

Return results after this ID

--before-id: optional string

Return results before this ID

--limit: optional number

Max results to return. Defaults to 100.

minimum1
maximum1000
--workspace-id: optional string

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

ReturnsExpand Collapse
ProteinLibraryScreenResultsResponse: object { data, first_id, has_more, last_id }
data: array of object { id, artifacts, created_at, 4 more }
id: string

Unique result ID

artifacts: object { archive, structure }
archive: object { url, url_expires_at }
url: string

URL to download the file

formaturi
url_expires_at: string

When the presigned URL expires

formatdate-time
structure: object { url, url_expires_at }
url: string

URL to download the file

formaturi
url_expires_at: string

When the presigned URL expires

formatdate-time
created_at: string
formatdate-time
entities: array of object { chain_ids, type, value, 2 more } or object { chain_ids, type, value, 2 more } or object { chain_ids, type, value, 2 more } or 2 more

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

Accepts one of the following:
ProteinEntity: object { chain_ids, type, value, 2 more }
chain_ids: array of string

Chain IDs for this entity

type: "protein"
value: string

Amino acid sequence (one-letter codes)

cyclic: optional boolean

Whether the sequence is cyclic

modifications: optional array of object { residue_index, type, value } or object { residue_index, type, value }

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

Accepts one of the following:
CCDModification: object { residue_index, type, value }
residue_index: number

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)

SmilesModification: object { residue_index, type, value }
residue_index: number

0-based index of the residue to modify

minimum0
type: "smiles"
value: string

SMILES string for the modification

RNAEntity: object { chain_ids, type, value, 2 more }
chain_ids: array of string

Chain IDs for this entity

type: "rna"
value: string

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

cyclic: optional boolean

Whether the sequence is cyclic

modifications: optional array of object { residue_index, type, value } or object { residue_index, type, value }

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

Accepts one of the following:
CCDModification: object { residue_index, type, value }
residue_index: number

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)

SmilesModification: object { residue_index, type, value }
residue_index: number

0-based index of the residue to modify

minimum0
type: "smiles"
value: string

SMILES string for the modification

DNAEntity: object { chain_ids, type, value, 2 more }
chain_ids: array of string

Chain IDs for this entity

type: "dna"
value: string

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

cyclic: optional boolean

Whether the sequence is cyclic

modifications: optional array of object { residue_index, type, value } or object { residue_index, type, value }

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

Accepts one of the following:
CCDModification: object { residue_index, type, value }
residue_index: number

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)

SmilesModification: object { residue_index, type, value }
residue_index: number

0-based index of the residue to modify

minimum0
type: "smiles"
value: string

SMILES string for the modification

LigandCCDEntity: object { chain_ids, type, value }
chain_ids: array of string

Chain IDs for this ligand

type: "ligand_ccd"
value: string

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

LigandSmilesEntity: object { chain_ids, type, value }
chain_ids: array of string

Chain IDs for this ligand

type: "ligand_smiles"
value: string

SMILES string representing the ligand

metrics: object { binding_confidence, helix_fraction, iptm, 4 more }

Structural and binding quality metrics for a screened protein

binding_confidence: number

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

helix_fraction: number

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

iptm: number

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

loop_fraction: number

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

min_interaction_pae: number

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

sheet_fraction: number

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

structure_confidence: number

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

external_id: optional string

Client-provided identifier for this protein, if provided

warnings: optional array of object { code, message }

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

first_id: string

ID of the first item. Use as before_id for the previous page.

has_more: boolean
last_id: string

ID of the last item. Use as after_id for the next page.

Get screened protein candidates

boltz-api protein:library-screen list-results \
  --id id
{
  "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"
}