Installation Guide¶

Docker¶

Docker compose¶

We recommend using docker compose to set up a JChem Microservices system. In that case, Docker will automatically download the images as you use them.

You can find an example compose file for JChem Microservices on GitHub.

Download manually¶

Prerequisites¶

In order to download the official Docker images of JChem Microservices, you need to install Docker on your system and configure it to access the Chemaxon Public Repository. After acquiring your credentials, you can simply call

docker login chemaxon.jfrog.io

to set up Docker to access the repository.

Download¶

Run

docker pull chemaxon.jfrog.io/cxn-docker-release/chemaxon/<module_name>:<version_number>

where <module_name> specifies which common or chemical service you need:

Service	Docker image
Config Service	`jms-config`
Discovery Service	`jms-discovery`
Gateway Service	`jms-gateway`
Calculations Service	`jms-calculations`
Database Search Service	`jms-db`
Input/Output Service	`jms-io`
Markush Enumeration Service	`jms-markush`
Reactor Service	`jms-reactor`
Structure Checker Service	`jms-structurechecker`
Structure Manipulation Service	`jms-structure`
Task Manager Service	`jms-taskmanager`

Please note that for LTS versions, the <version_number> has to be the version number and not the display version, e.g. 24.4.3 instead of Platinum.3.

JVM configuration¶

Before version 26.1.0, JVM settings in Docker images work the same way as in the installer: edit the .vmoptions files inside the image. They are located in the /app/jws/jws-<service_name>/ folder.

Since version 26.1.0, .vmoptions files are not included in Docker images. JVM parameters can be provided via the JAVA_OPTS environment variable. JVM flags in JAVA_OPTS use the same syntax as in .vmoptions files.

The default value of JAVA_OPTS is the suggested -Xmx value for each service in the following format: -Xmx<memory_limit> (e.g. -Xmx4g). If necessary, multiple JVM parameters can be configured as a space-separated list. For the suggested default memory values per service, see How much Xmx should be given to the services?.

Example in docker compose:

services:
  jms-db:
    image: chemaxon.jfrog.io/cxn-docker-release/chemaxon/jms-db:<version_number>
    environment:
      JAVA_OPTS: "-Xmx4g"

Installers¶

Download¶

Download jws-installer – appropriate for your operating system – from https://download.chemaxon.com/jchem-microservices

Install¶

Windows¶

Choose one of the following:

unzip jws_windows_x64_<version_number>. zip
run jws_windows_x64_<version_number>.exe as Administrator

Linux¶

Choose one of the following:

uncompress jws_unix_<version_number>.tar.gz
run jws_unix_<version_number>.sh
on Debian and Ubuntu, run sudo dpkg -i jws_linux_<version_number>.deb
on Redhat and Centos, run sudo yum install jws_linux_<version_number>.rpm

Mac OS¶

Choose one of the following:

uncompress jws_unix_<version_number>.tar.gz
run jws_macos_<version_number>.dmg

JVM configuration¶

Each service folder contains jws-<service_name>-service.vmoptions and run-jws-<service_name>.vmoptions files where JVM parameters can be configured. By default, all of these files contain chemaxon.license.url and -Xmx JVM memory configuration according to the suggested default memory values per service. For the suggested values, see How much Xmx should be given to the services?.

Uninstall¶

Depends on the operating system and the installation mode you applied.

Windows¶

If you used the zip installer, simply delete the folder where you put the JChem Microservices files.

Otherwise, run C:\Program Files\Chemaxon\JChem Micro Services\uninstall.exe

Linux¶

If you used the tar.gz installer, simply delete the folder where you put the JChem Microservices files.

Otherwise, choose the appropriate:

run <Installation folder>/Chemaxon/JChem Micro Services/uninstall
on Debian and Ubuntu, run sudo dpkg -r jws
on Redhat and Centos, run sudo yum erase jws