Markush Web Services

    {info} Markush Web Services provide enumeration of Markush structures.

    This documentation describes installation, administration and usage of Markush Web Services.

    Markush Web Services make possible to reach the functionality provided by ChemAxon's toolkit Markush Enumeration.

    Markush Web Services application is available in two modes:

    1. As part of a microservices system

    2. As standalone web application

    Microservices system mode

    In microservices system mode the Markush Web Service runs together with Config service, Discovery service and Gateway service. These three services are mandatory and optionally other services can also be part of the system. All configuration must be done in the Config module.

    The default configuration applies to the microservices system mode.

    The web application runs on host <server-host> and listens on port <gateway-server-port>.

    Standalone web application mode

    In standalone web application mode the Markush Web Service runs alone, without the Config service, Discovery service and Gateway service (however the installer installs them, as well).

    The default configuration must be changed according to the standalone web application mode; set

    eureka.client.enabled=false in application.properties file, and

    spring.cloud.config.failFast=false and spring.cloud.config.enabled=false in bootstrap.properties file.

    All configuration must be done in the Markush Web Services module.

    The web application runs on host <server-host> and listens on port <server-port>.

    Download

    See here.

    Software requirements

    See here

    Installation

    See here.

    Module is installed into folder: jws/jws-markush

    Licenses

    See here.

    Logging

    See here.

    Configuration

    Default configuration:

    application.properties
    server.port=8065
    logging.file.name=../logs/jws-markush.log
    eureka.client.enabled=true set eureka.client.enabled=false to switch to standalone Markush Web Services application mode
    bootstrap.properties
    spring.cloud.config.failFast=true
    spring.cloud.config.uri=${CONFIG_SERVER_URI:http\://localhost\:8888/}
    spring.cloud.config.retry.initialInterval=3000
    spring.cloud.config.retry.multiplier=1.2
    spring.cloud.config.retry.maxInterval=60000
    spring.cloud.config.retry.maxAttempts=100

    For more settings possibilities see spring documentation page.

    Running the server

    Prerequisites in case of microservices system mode:

    1. Config service is running

    2. Discovery service is running

    3. Gateway service is running

    Run the service in command line in folder jws/jws-markush:

    jws-markush-service start (on Windows)

    jws- markush -service start (on Linux)

    or

    run-jws- markush .exe (on Windows)

    run-jws- markush (on Linux)

    API documentation

    Find and try out the API on the Swagger UI.

    Mode URL of Swagger UI Default URL of Swagger UI
    Microservices system <serverhost>:<gateway-port>/jws-markush/API/ localhost:8080/jws-markush/API/
    Standalone web application mode <serverhost>:<server-port>/API/ localhost:8065/API/

    Demo site

    For detailed description check out the JWS Markush demo site:

    https://jchem-microservices.chemaxon.com/jws-markush/api/index.html

    Usage

    The guidelines, examples on the Demo site or on the Swagger UI API documentation of your installed module display the methods and syntax implemented for reaching the functionalities of Markush Enumeration toolkit.

    Markush Web Service provides a method for Markush enumeration of chemical structures.

    For input structures plain text chemical file formats are supported.

    The format of the output structures is MRV.