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Alpha Shapes
Herbert Edelsbrunner
Duke University, Computer Science(Raindrop) Geomagic
LEIDEN 2006
I.1 Van der Waals diagram
I.2 Solvent accessible diagram
I.3 Alpha shape
I. Molecular Models
II.1 Homotopy equivalence
II.2 Betti numbers
II.3 Incremental algorithm
II. Connectivity
III.1 Voids
III.2 Pockets
III. Empty Space
IV.1 PIE formula
IV.2 Void formula
IV.3 Area derivative
IV.4 Volume derivative
IV. Size
V.1 Definition
V.2 Deformation
V. Molecular Surface
VI.1 Skin surfaces
VI.2 Coaxal system
VI.3 Mixed complex
VI.4 Complementarity
VI. Shape
Collaborators
2d: David Kirkpatrick, Raimund Seidel 1983
3d: Ernst Muecke 1994
Betti numbers: Cecil Delfinado 1995
Pockets and size: Michael Facello,
Ping Fu, Jie Liang 1995
Derivatives: Patrice Koehl 2003
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