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DOI

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:

  1. Install Docker

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

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

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

docker pull ppernot1/mc-chemdbui
  1. 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 
  1. Access http://localhost:3820 in your favorite browser

  2. When finished

docker kill mc-chemdbui
  1. For further sessions
docker restart mc-chemdbui
  1. To cleanup
docker remove -v mc-chemdbui