LIpid Membranes Open Network And DAtabase
Installation
This project requires Python 3.9 or earlier.
- git clone https://github.com/LimonadaMD/LimonadaMD.git
- python3 -m pip install numpy
- pip install -r requirements/dev.txt
- apt-get install sqlite3 openbabel
- sqlite3 db.sqlite3 < db.sqlite3.txt
- python manage.py migrate
- python manage.py runserver
Configuration
When a topology is added to the database, a verification is made with gromacs or charmm to check its validity. Add gromacs and charmm bin path at the end of limonada/settings/base.py
Add a cron task to remove temporary files created in the media/tmp directory Change the media path in limonada.cron copy limonada.cron to /usr/bin/ execute "crontab -e" and add "0 * * * * /usr/bin/limonada.cron" at the end of the file