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m2ms / fragalysis-frontend

The React, Redux frontend built by webpack
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Job Launcher - Phase 1 Backend Work. #825

Open duncanpeacock opened 2 years ago

duncanpeacock commented 2 years ago

For high level design, see:

  1. Fragalysis Backend changes to be able to configure and run jobs: Configuration of squonk project and set up squonk config parameters in Fragalysis. File transfer Job request and queuing jobs in Squonk2 Changes to target loader
alanbchristie commented 2 years ago

Fragalysis can expect Squonk/2 UI/API URLs in the following environment variables: -

Note: Fragalysis will need to obtain the token used when interacting with the UI. This token must be used when calling any Squonk/2 API methods.

duncanpeacock commented 2 years ago

The backend code changes are ready in branch: issue-825-job-launcher-1 I haven't created the pull request yet as we need to discuss next steps.

Note that these backend changes could go to production even if we don't use the Squonk functionality initially. They are "sleeping" controlled by the new environment variables SQUONK_UI_URL and SQUONK_API_URL.

The target loader changes include the inclusion of the "_apo-desolve.pdb" and "_header.pdb" in the database and so are a necessary first step in including the "_header.pdb" files in "download structures".

I would recommend a technical target loader test on staging to check that the files are included in the database (with Tyler?)

duncanpeacock commented 2 years ago

Pull request: https://github.com/xchem/fragalysis-backend/pull/318