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Molecular Toolkit Training

Overview and Audience

The Molecular toolkit is a software development kit for accessing and modifying molecular data objects in protocols such as atoms, bonds, molecules, reactions and macromolecules.

The toolkit is implemented in the both the Perl and Java programming languages and is well suited for extending the native chemistry capabilities of Pipeline Pilot with custom methods.

On completion of the workshop attendees should have the ability to create highly customized components that manipulate molecular objects in Pipeline Pilot.

Sample Agenda:

  • Introduction
  • Perl / Java Component API review
  • Molecular Toolkit Overview
  • Molecular Toolkit Common Tasks
  • Registering Custom Calculable Properties

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