Theory

The Spicoli toolkit provides broad functionality for creating, manipulating, and analyzing surfaces of many types. Surfaces can be created from molecules, grids, or other surfaces, and can be cropped, colored, and modified to enable visual and analytical analyses. The Spicoli library also provides support for saving and reading surface files.

• Surfaces
  • Vertices
  • Triangles
  • Normal Vectors
  • Specific Data
  • Associative Data
• Surface Generation
  • Molecules: Accessible vs Molecular
  • Grids
  • Surface Subsets
  • Geometric Primitives
• Atom Association and Surface Splitting
• Surface Manipulation
  • Cliques
  • Grids
• Surface Storage
  • File Formats
  • Attached to Molecules