Interface MacromoleculeSettings

Settings for macromolecule (HELM) support.

The mere presence of this section enables the macromolecule related features (such as the HELM toolbar).

interface MacromoleculeSettings {
    monomerServiceConvertURL?: string;
    monomerServiceLibrariesURL?: string;
    monomerServiceURL?: string;
}

Properties

monomerServiceConvertURL?: string

The URL of the JMS monomer service macromolecule convert endpoint (POST).

Converts a HELM string to another structure format using the configured monomer libraries. All input is sent in the JSON request body.

Request body (required):

heavyAtomCountLimit (integer, 1–500): heavy-atom count eavy atom count limit of the imported structure.
inputFormat (string): the input format of the macromolecule; supported values: helm, biln, cxonb.
libraries (array of integers, ≥ 1 item): the list of selected library IDs.
macromolecule (string, ≥ 1 character): macromolecule in a string format.
outputFormat (string): converted structure format; supported values: small molecule formats, helm, cxonb.

Example request body:

{
  "heavyAtomCountLimit": 500,
  "inputFormat": "helm",
  "libraries": [0, 1],
  "macromolecule": "PEPTIDE1{A}$$$$V2.0",
  "outputFormat": "cxon"
}

monomerServiceLibrariesURL?: string

The URL of the JMS monomer libraries endpoint (GET).

Example: /monomers/rest-v1/monomers/libraries

monomerServiceURL?: string

The URL of the JMS monomer service.

It must point to the search endpoint.

Example: /monomers/rest-v1/monomers/search