Molecular Toolkit
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 PilotScript, Perl and Java programming languages and is well suited for extending the native chemistry capabilities of Pipeline Pilot with custom methods.
Upon completion of the workshop, students will have the ability to create highly customized components that manipulate molecular objects in Pipeline Pilot.
- Level
- Fundamental
- Length
- 4 hours
- Product
- Pipeline Pilot
- Format
- Instructor-ledOnsite or Virtual Classroom
Topics covered
- Create new molecules
- Manipulate atoms
- Manipulate bonds
- Create new calculable properties
Prerequisites
Fundamentals, PilotScript, Integration, Chemistry
Related courses
Chemistry
Generative Molecules with Desired Properties
Pipeline Pilot Administration
Documents and Text
Sequence Analysis
Basic Imaging
Basic Next Generation Sequencing (NGS)
Extending BIOVIA Workbook with Pipeline Pilot Protocols
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