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Build an AutoDock Vina conda package for Deadline Cloud - Deadline Cloud

Build an AutoDock Vina conda package for Deadline Cloud

The autodock-vina-1.2.5 rattler-build recipe packages AutoDock Vina, an open-source molecular docking program that predicts how small molecules (drug candidates) bind to a protein target. The package downloads the pre-built Linux x86_64 binary from the GitHub release and installs it as the vina command.

Submit the build from the conda_recipes directory:

./submit-package-job autodock-vina-1.2.5

For a job bundle that uses this package to run parallel virtual screening campaigns, see Run virtual screening with AutoDock Vina on Deadline Cloud.