example docker for JWS

Prerequisites

• install docker
• install docker-compose
• copy jws_unix_19.15.tar.gz to folder (Download it from here: JChem Micorservices 19.15)
• copy license.cxl to folder

How to run

docker-compose up

Settings

The above setup has the following volumes:

• dbdata to save molecules uploaded to jws-db
• logdata where you can find all the logs
• config holds all the configurations for the application for more information please se our documentation
• license is the volume to share the license.cxl file between containers

If you want to change any JVM arguments you can pass them to the executables with a -J prefix, like: -J-Xmx4g would set the maximum memory of the JVM to 4 GB. You should write these extra settings to the end of the command in the docker-compose.yml file.

Architecture of the services:

The services share a configuration server which is a way to centralize all the settings for the servers. This services tells every other services the configurations and where to find the service-registry. The service-registry is an eureka. All services register here. We also provide you gateway service which is a simple Zuul proxy. This service can loadbalance your requests and can also retry to send them if any of the services fail. And you have the following ChemAxon services:

• jws-db a simple service to store search and retrieve chemical data
• jws-calculations stateless chemical calculations
• jws-markush some markush tools to handle generative structures
• jws-io format conversions between chemical representations
• jws-structure tools to change your chemical structures

Scaling up the services

All services (except jws-db) can be scaled up indefinitely.