Webservice allowing to generate structural isomers using surge based on a molecular formula
Surge source code is available at: https://github.com/StructureGenerator/surge
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 31228
For the browser you can test for example:
http://localhost:31228/
git clone https://github.com/cheminfo/surge
npm i
npm run dev
surge is subject to its own license: https://github.com/cheminfo/surge/blob/main/LICENSE