Saving, Sharing, and Extraction
Save structures into the repository, share the current depiction, or split larger chemistry sources into many saved results.
Save changes or export a copy
Save updates the current molecule or reaction in the Managed Repository. Unsaved changes are marked on the document tab. Closing an edited tab offers Save, Discard Changes, or Cancel.
Export creates a separate copy in your chosen format. Choose a molecule format for the current molecule or selected reaction participant, or a reaction format for the whole reaction.
- Molecule save targets include Molfile, SDF, SMILES, isomeric SMILES, InChI, MOL2, PDB, XYZ, CML, and RGfile when the current structure can be written with R-group data.
- Reaction save targets include RXN, RDF, Reaction SMILES, RInChI, and reaction CML.
- Visual formats such as SVG stay in Share or Export flows instead of the synced repository.
Share the current depiction
Share opens a format chooser before presenting the iPad share sheet. SVG is the default; PNG and single-page PDF use the same 2D depiction. Use the canvas Snapshot action to capture the current 3D view.
- Share is useful when you need the on-screen structure artwork in Mail, Messages, Notes, or another app.
- For reaction documents, SVG, PNG, and PDF sharing use the whole reaction scene.
Run extraction workflows
Extraction is designed for large or repetitive sources where manual saving would be slow or error-prone.
- Split multi-structure SDF files into individual structure files.
- Collect annotated SDF attributes into a CSV table.
- Split multi-reaction SMILES into individual .rsmi files.
- Convert multi-reaction SMILES into individual RXN files.
Where results go
Save and Extract write files into the Managed Repository. That makes the results immediately searchable in the primary repository workspace and available through the AtomLens Files location.
Share uses a temporary handoff file for the iPad share sheet instead of writing directly into the repository.
When iCloud sync is enabled and available, managed chemistry and metadata can appear on your other devices. Shared depictions and arbitrary files outside the repository are not added to repository sync.
If iCloud sync is disabled, Save and Extract continue to use the local Managed Repository on this iPad.
- After saving or extraction, use Library to review, tag, reopen, or share the generated files. Clear an active search or filter if it hides a new item.
- Extraction progress stays visible in-app until the job finishes.