Skip to content

cheminfo/openbabel-docker

Repository files navigation

openbabel-docker

Webservice allowing to convert between molecule formats using openbabel

Installation

This project uses docker. After cloning the project you should do:

cp docker-compose.example.yml docker-compose.yml

You can either use a released docker image or build the head. Please change docker-compose.yml accordingly.

docker-compose up --build -d

This will start a webserver on port 20808

For the browser you can test for example:

http://localhost:20808/

Local developmwent

For local development you may have to edit the docker/.env in order to set the location of BABEL.

cd docker
docker build . -t openbabel
docker run -it openbabel bash

License

MIT

openbabel is subject to its own license.