sergeinikolenko/burette/workflow-results

Workflow Results

Burette is a workspace interface, not a general job manager. Heavy workflows should run through domain tools or servers, then hand local artifacts back to Burette.

External Workflows

Treat these as external unless a dedicated Burette runtime is added:

• protein preparation;
• ligand preparation;
• docking;
• molecular dynamics setup and production;
• trajectory cleanup;
• bulk SDF property calculation.

Intake Contract

Each result bundle should provide:

• display artifacts: PDB/CIF/SDF/trajectory files;
• metric artifacts: CSV/JSON tables;
• report artifacts: markdown or HTML converted to bounded report blocks;
• provenance: source path, server/job id, command summary, warnings, errors.

Validate the bounded manifest/snapshot before rendering. Use open-workspace to display structures and molecular-report for notes, plots, and result summaries.

Safety

Server submission, overwrites, and irreversible cleanup require explicit confirmation outside this app interface. Do not hide those side effects behind a viewer action.