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Version: ELN v3.x

Installation & Configuration

System Requirements​

The currently suggested minimum configuration is as follows:

  • An OS that supports Docker
    • Docker Engine and Docker Compose. On Windows, the Chemotion team recommends installing both of them along with the Docker Desktop suite. On Linux, the Chemotion team recommends using the apt/rpm repository.
    • On Linux, ideally Docker should then be configured to run as a non-root user.
    • If required, it might also be possible to run the Docker daemon in rootless mode. Please see the distribution-specific setup instructions for details.
    • Some users have reported success using Podman. However, the Chemotion team currently does not test compatibility with Podman because of resource limitations.
  • 4 CPUs (x64 instruction set)
  • 8 GB memory
  • 300 GB disk space for OS (Linux preferred), Docker and Chemotion ELN
  • 100 GB or more disk space for each attached device depending on the attached device(s).
  • Browser: For the use of the Chemotion ELN (and Repository), Chrome is recommended. Other browsers such as Firefox or Edge only allow limited functionalities in some areas of the application (e.g. collection management and ChemSpectra).
Recommendation

Please use Chrome as browser for the Chemotion ELN and Repository.

Ways to Install​

Installing the ELN makes it available on port 4000 (default location is 0.0.0.0:4000) of the computer on which it is installed. Making it accessible on a domain name, e.g. https://myeln.edu, or over a network requires the administrator to set up a proxy. Detailed instructions for this are system/network dependent (and beyond the scope of this documentation). However, some hints are provided here.

Single User Installation

The ELN is designed to be used by multiple users. This means that it is usually installed on a server computer that is then served on a domain name (see FQDN for more) across a lab/department/institution/university. While it is possible to use the ELN as a single user on a private computer, this is not encouraged given the limitations that may arise in relation to device integration, deploying email service, and data sharing etc.

For users who still wish to install Chemotion ELN on a private computer (especially for testing etc.), the Chemotion team highly recommends the use of ChemCLI to do so. If no web address is provided during installation, the ELN should start running on http://localhost:4000 when using the tool.

After Installation​

Please follow the configuration steps (see here and here) to personalize the installation and then perform a system check to make sure that all features are working as intended.

When to upgrade?

The team behind Chemotion ELN is working hard to introduce new features, bug fixes and security patches. The Chemotion team therefore recommends upgrading the ELN instance (at least) once every three months. For convenience, most upgrades involve creating a backup (for data safety reasons), replacing a file, stopping the old ELN and starting the new one. This process is further automated when using ChemCLI. A summary of changes made in newer versions is available here.

Chemotion version 1​

While the Chemotion team strives to support all instances of Chemotion, the documentation only deals actively with fresh installations and upgrades for ELN versions released in the past 12 months. For anything before that, and particularly for installations that run natively (i.e. without Docker) i.e. likely installed before April 2022: please get in touch with the helpdesk for more personalized support.