This image contains two services:
- Ketcher molecule editor service (indigo-service)
- Fingerprinting service with OpenBabel
docker build -t elabftw/chem-plugin .
Deploy it on the same network as eLabFTW and configure eLabFTW to use this service.
Use TLS_KEYFILE and TLS_CERTFILE env vars pointing to the key/cert files.
The fingerprinting part of this project was initialized by Tanguy Le Carrour from Easter-Eggs. Thank you Tanguy for the MVP and discussions!
This image builds on code from https://github.com/epam/Indigo, the configuration files in conf have been modified to run as user, and a supervisord configuration file has been added. The files in service are untouched (we just removed the tests folder). We completed the Dockerfile from Indigo with additions necessary for eLabFTW chem plugin.