Chemaxon Molecule format converter API

openapi: 3.2.0
info:
  title: Chemaxon Molecule format converter API
  version: 26.1.3
  description: 'Operations tagged Molecule format converter across 2 of this provider''s published API definitions: chemaxon-input-output-openapi.json, chemaxon-input-output-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/jwsio
tags:
- name: Molecule format converter
paths:
  /rest-v1/molconvert:
    post:
      operationId: convert
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/MolConvertRequest'
        required: true
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: string
          description: OK
      summary: Converts the molecule to another format
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/analyze:
    post:
      operationId: analyze
      requestBody:
        content:
          text/plain:
            schema:
              type: string
              description: 'the molecule string. Example: c1ccccc1CC(N)C'
              example: c1ccccc1CC(N)C
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/AnalyzerResponse'
          description: OK
      summary: Recognizes the input format and the type of the chemical structure (eg.
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/append:
    post:
      operationId: append
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/MolAppenderRequest'
        required: true
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: string
          description: OK
      summary: Converts an array of structures to a single multimolecule file
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/append-with-properties:
    post:
      operationId: appendWithProperties
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/MolWithPropertiesAppenderRequest'
        required: true
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: string
          description: OK
      summary: Converts an array of structures with their corresponding properties to a single…
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/batch:
    post:
      operationId: convertBatch
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/BatchMolConvertRequest'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                type: array
                items:
                  $ref: '#/components/schemas/BatchMolConvertResponseElement'
          description: OK
      summary: Converts a list of molecules to another format
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/binary:
    post:
      operationId: convertToBinary
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/MolConvertRequest'
        required: true
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: string
                format: byte
          description: OK
      summary: Converts the molecule to a binary file format
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/download:
    post:
      operationId: download
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/MolConvertRequest'
        required: true
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: string
                format: binary
          description: OK
      summary: Converts the molecule to a file format and send it to the browser for download
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/file-to-file:
    post:
      operationId: convertFile
      parameters:
      - description: The import format, if not set, then MolImporter will autorecognise the file
        in: query
        name: inputFormat
        required: false
        schema:
          type: string
          default: ''
      - description: The export format, if not set, then mrv is used
        in: query
        name: outputFormat
        required: false
        schema:
          type: string
          default: mrv
      - description: The error handling mode
        in: query
        name: errorHandlingMode
        required: false
        schema:
          type: string
          default: FAIL_ON_ERROR
          enum:
          - FAIL_ON_ERROR
          - SKIP_ERROR
      - description: The output file name
        in: query
        name: outputFileName
        required: false
        schema:
          type: string
          default: molecules
      requestBody:
        content:
          multipart/form-data:
            schema:
              type: object
              properties:
                file:
                  type: string
                  format: binary
                  description: The file to convert
              required:
              - file
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: string
                format: binary
          description: OK
      summary: Converts a file to a different file format
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/file-to-stream:
    post:
      operationId: streaming
      parameters:
      - description: The import format, if not set, then MolImporter will autorecognise the file
        in: query
        name: inputFormat
        required: false
        schema:
          type: string
          default: ''
      - description: The export format, if not set, then mrv is used
        in: query
        name: outputFormat
        required: false
        schema:
          type: string
          default: mrv
      - description: The error handling mode
        in: query
        name: errorHandlingMode
        required: false
        schema:
          type: string
          default: FAIL_ON_ERROR
          enum:
          - FAIL_ON_ERROR
          - SKIP_ERROR
      - description: The output file name
        in: query
        name: outputFileName
        required: false
        schema:
          type: string
          default: molecules
      requestBody:
        content:
          multipart/form-data:
            schema:
              type: object
              properties:
                file:
                  type: string
                  format: binary
                  description: The file to convert
              required:
              - file
      responses:
        '200':
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/StreamingResponseBody'
          description: OK
      summary: Converts a file to a different file format and streams the result
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/properties:
    post:
      operationId: properties
      parameters:
      - description: the input format and options
        in: query
        name: inputFormat
        required: false
        schema:
          type: string
      requestBody:
        content:
          text/plain:
            schema:
              type: string
              description: the molecule string. <br/><br/>Example:<br/>mol,test1,test2<br/>C1=CC=CC=C1,value1,2
              example: 'mol,test1,test2

                C1=CC=CC=C1,value1,2'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                type: object
                additionalProperties:
                  type: string
          description: OK
      summary: Collects the molecule properties
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/split:
    post:
      operationId: split
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/MolSplitterRequest'
        required: true
      responses:
        '200':
          content:
            '*/*':
              schema:
                type: array
                items:
                  type: string
          description: OK
      summary: Converts the multimolecule file to an array of structures
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/split-with-properties:
    post:
      operationId: splitWithProperties
      parameters:
      - description: The import format, if not set, then MolImporter will autorecognise the file
        in: query
        name: inputFormat
        required: false
        schema:
          type: string
          default: ''
      - description: The export format, if not set, then mrv is used
        in: query
        name: outputFormat
        required: false
        schema:
          type: string
          default: mrv
      requestBody:
        content:
          multipart/form-data:
            schema:
              type: object
              properties:
                file:
                  type: string
                  format: binary
                  description: The file to split
              required:
              - file
      responses:
        '200':
          content:
            application/json:
              schema:
                type: array
                items:
                  $ref: '#/components/schemas/MoleculeAndProperties'
          description: OK
      summary: Splits a structure file into list of molecules and their corresponding…
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
  /rest-v1/molconvert/structure-with-properties:
    post:
      operationId: structureWithProperties
      parameters:
      - description: the input format and options
        in: query
        name: inputFormat
        required: false
        schema:
          type: string
      - description: the output format and options
        in: query
        name: outputFormat
        required: false
        schema:
          type: string
          default: mrv
      - description: the output structure type
        in: query
        name: outputMode
        required: false
        schema:
          type: string
          default: REMOVE_PROPERTIES_AND_TITLE
          enum:
          - ORIGINAL
          - REMOVE_PROPERTIES_AND_TITLE
          - NO_STRUCTURE
      requestBody:
        content:
          text/plain:
            schema:
              type: string
              description: the molecule string. <br/><br/>Example:<br/>mol,test1,test2<br/>C1=CC=CC=C1,value1,2
              example: 'mol,test1,test2

                C1=CC=CC=C1,value1,2'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/MoleculeAndProperties'
          description: OK
      summary: Collects the molecule properties and structures
      tags:
      - Molecule format converter
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsio
components:
  schemas:
    BatchMolConvertRequest:
      properties:
        errorHandlingMode:
          type: string
          description: 'The error handling strategy. Default: FAIL_ON_ERROR'
          enum:
          - FAIL_ON_ERROR
          - SKIP_ERROR
          example: FAIL_ON_ERROR
        inputParams:
          type: string
          description: the input format and options
          example: smiles
        outputParams:
          type: string
          description: the output format and options
          example: mrv
        structures:
          type: array
          description: List of input structures
          example:
          - CC(C)[C@H](N)C=O
          - CC[C@H](C)[C@H](N)C=O
          - CC(C)C[C@H](N)C=O
          items:
            type: string
      required:
      - outputParams
      - structures
    MolConvertRequest:
      properties:
        inputParams:
          type: string
          description: the input format and options
          example: smiles
        outputParams:
          type: string
          description: the output format and options
          example: mrv
        structure:
          type: string
          description: the input structure
          example: C1CCCCC1
      required:
      - outputParams
      - structure
    BatchMolConvertResponseElement:
      properties:
        error:
          type: string
          description: error message if the export was unsuccessful
        structure:
          type: string
          description: the structure exported to the given format
          example: C1CCCCC1
        successful:
          type: boolean
          description: boolean description indicates if the export was successful
    MolAppenderRequest:
      properties:
        inputParams:
          type: string
          description: the input format and options
          example: smiles
        outputParams:
          type: string
          description: the output format and options
          example: mrv
        structures:
          type: array
          description: List of input structures
          example:
          - C1CCCCC1
          - C1NCOCC1
          items:
            type: string
      required:
      - outputParams
      - structures
    AnalyzerResponse:
      properties:
        chemicalTypes:
          type: array
          description: the type of the chemical entity
          example: '[Molecule]'
          items:
            type: string
            enum:
            - Molecule
            - Markush structure
            - Query molecule
            - Reaction
        format:
          type: string
          description: the format of the structure
          example: mrv
    MolWithPropertiesAppenderRequest:
      properties:
        inputParams:
          type: string
          description: the input format and options
          example: smiles
        outputParams:
          type: string
          description: the output format and options
          example: mrv
        structures:
          type: array
          description: List of input structures with properties
          items:
            $ref: '#/components/schemas/MoleculeAndProperties'
      required:
      - outputParams
      - structures
    MolSplitterRequest:
      properties:
        inputParams:
          type: string
          description: the input format and options
          example: mrv
        outputParams:
          type: string
          description: the output format and options
          example: smiles
        structure:
          type: string
          description: the input structure
          example: '<?xml version="1.0" encoding="UTF-8"?><cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com/marvin/schema/mrvSchema_18_11_0.xsd" version="ChemAxon file format v18.11.0, generated by v19.17.0">

            <MDocument><MChemicalStruct><molecule molID="m1"><atomArray atomID="a1 a2 a3 a4 a5 a6" elementType="C C C C C C"></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"></bond><bond id="b2" atomRefs2="a1 a6" order="1"></bond><bond id="b3" atomRefs2="a2 a3" order="1"></bond><bond id="b4" atomRefs2="a3 a4" order="1"></bond><bond id="b5" atomRefs2="a4 a5" order="1"></bond><bond id="b6" atomRefs2="a5 a6" order="1"></bond></bondArray></molecule></MChemicalStruct></MDocument>

            <MDocument><MChemicalStruct><molecule molID="m2"><atomArray atomID="a1 a2 a3 a4 a5 a6" elementType="C C N C O C"></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"></bond><bond id="b2" atomRefs2="a1 a6" order="1"></bond><bond id="b3" atomRefs2="a2 a3" order="1"></bond><bond id="b4" atomRefs2="a3 a4" order="1"></bond><bond id="b5" atomRefs2="a4 a5" order="1"></bond><bond id="b6" atomRefs2="a5 a6" order="1"></bond></bondArray></molecule></MChemicalStruct></MDocument>

            </cml>'
      required:
      - outputParams
      - structure
    StreamingResponseBody: {}
    MoleculeAndProperties:
      properties:
        properties:
          type: object
          additionalProperties:
            type: string
          description: the properties of the structure
          example:
            key1: key1Value
            key2: key2Value
        structure:
          type: string
          example: C1CCCCC1
        title:
          type: string
          example: mol_title
x-refined-from:
- chemaxon-input-output-openapi.json
- chemaxon-input-output-openapi.yml