Ludwig-Maximilians-Universität München, Institut für Informatik
Technical Report 95-09
- TITLE:
-
A 3D Molecular Surface Representation Supporting Neighborhood Queries
- DATE:
-
May 1995
- AUTHORS:
- Thomas Seidl
- Hans-Peter Kriegel
- {seidl | kriegel}@informatik.uni-muenchen.de
- Institut für Informatik
- Universität München
- Leopoldstr. 11B
- D-80802 München (Germany)
- KEYWORDS:
-
3D molecular modeling, graphs in spatial databases, surface representation,
neighborhood query, surface approximation,
database systems in molecular biology.
- ABSTRACT:
-
Applications in molecular biology more and more require geometric data
management along with physicochemical data handling. Thus, 3D structures and
surfaces of molecules become basic objects in molecular databases. We propose
the neighborhood query on graphs such as molecular surfaces as a fundamental
query class concerning topological information on patch adjacency. Furthermore,
we suggest a patch-based data structure, called the TriEdge structure, first,
to efficiently support neighborhood query processing, and second, to save space
in comparison to common 2D subdivision data structures such as the quad-edge
structure or the doubly-connected edge list. In analogy to the quad-edge
structure, the TriEdge structure has an algebraic interface and is implemented
via complex pointers. However, we achieve a reduction of the space requirement
by a factor of four. Finally, we investigate the time performance of our
prototype which is based on an object-oriented database management system.
Bei Problemen, Vorschlägen schicken Sie bitte eine eMail an
wwwmaster@informatik.uni-muenchen.de.
For problems and suggestions send an email message to
wwwmaster@informatik.uni-muenchen.de.