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SEAMM Package

  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
    • Credits
    • History
    • SEAMM Documentation
    • MolSSI
  • GitHub
  • Twitter
  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
  • Credits
  • History
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter

Section Navigation

  • Installation
  • Usage
  • Selecting structures in a plug-in
  • Tables in a plug-in
  • Contributing
  • Campaigns
    • 2026-09-30 – Building flowcharts programmatically, and flowchart format 3.0
      • Phase 0 – Inventory and triage (2026-09-30)
      • Phase 1 – Catalog and builder (2026-09-30)
      • Phase 3 – Converter and migration (2026-09-30, in progress)
      • Phase 4 – Editing from the command line, and a skill (2026-09-30)
      • Phase 5 – Rules shared by the dialogs and the builder (2026-09-30, in progress)
      • Phase 6 – The MCP server (2026-10-01)
      • The switch – checklist (draft for Paul, 2026-10-01)
  • Developer Documentation

Developer Documentation#

Contents:

  • Installation
    • Stable release
    • From sources
  • Usage
  • Selecting structures in a plug-in
    • The parameters
    • Using the selection
    • The dialog
    • Semantics shared with existing steps
  • Tables in a plug-in
    • Writing results
    • Working with a table
    • Code written for the in-memory tables
    • Committing
  • Contributing
    • Types of Contributions
    • Get Started!
    • Pull Request Guidelines
    • Tips
  • Campaigns
    • 2026-09-30 – Building flowcharts programmatically, and flowchart format 3.0

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