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Markush Web Services

Markush Web Services makes possible to reach the functionality provided by Chemaxon's toolkit Markush Enumeration.

This documentation describes installation, administration and usage of Markush Web Services. As all JChem Microservices modules, it is available in two modes:

  1. As part of a microservices system
  2. As a standalone web application

Microservices system mode

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

The default configuration applies to the microservices system mode.

The web application runs on host and listens on port .

Standalone web application mode

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

The default configuration must be changed according to the standalone web application mode. Set the following in the application.properties file

  • eureka.client.enabled=false
  • spring.cloud.config.enabled=false
  • If you are using a version earlier than 25.3.0 remove the line that starts with spring.config.import=

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

The web application runs on host and listens on port .

Download

See here.

System 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
spring.config.import=optional:configserver:${CONFIG_SERVER_URI:http://localhost:8888} Added in version 22.6.0.
eureka.client.enabled=true set eureka.client.enabled=false to switch to standalone Markush Web Services application mode
bootstrap.properties
spring.cloud.config.failFast=true #Removed in version 22.6.0.
spring.cloud.config.uri=${CONFIG_SERVER_URI:http://localhost:8888/} #Removed in version 22.6.0.
spring.cloud.config.retry.initialInterval=3000 #Removed in version 22.6.0.
spring.cloud.config.retry.multiplier=1.2 #Removed in version 22.6.0.
spring.cloud.config.retry.maxInterval=60000 #Removed in version 22.6.0.
spring.cloud.config.retry.maxAttempts=100 #Removed in version 22.6.0.

For more configuration options, see the 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.exe --install

jws-markush-service.exe --start (on Windows in administrator's terminal)

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 Services provide 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.

JSON Converter

Converts different molecular string representations into JSON format and molecular JSON representations to string.