MC-ChemDBUI

UI to manage MC-ChemDB.

Documentation

See the User's Manual

Docker container

The mc-chemdbui Docker container has all elements pre-installed.

To run the container:

0. Install Docker

1. Load the latest release of MC-ChemDB from the GitHub repository https://github.com/ppernot/MC-ChemDB and unpack it

2. If it does not exist, create a ChemDBPublic directory

3. Download the latest docker container for mc-chemdbui from DockerHub

docker pull ppernot1/mc-chemdbui

4. Run the docker container with source links for MC-ChemDB and ChemDBPublic pointing to your directories (should be absolute paths)

docker run -d -p 3820:3820 --mount type=bind,source=path_to_my_ChemDBPublic,target=/ChemDBPublic --mount type=bind,source=path_to_my_MC-ChemDB,target=/MC-ChemDB --name mc-chemdbui ppernot1/mc-chemdbui 

5. Access http://localhost:3820 in your favorite browser

6. When finished

docker kill mc-chemdbui

7. For further sessions

docker restart mc-chemdbui

8. To cleanup

docker remove -v mc-chemdbui