NMTRI v 1.0

Abstract

This code consists of Matlab routines which enable the user to perform non-manifold surface reconstruction via triangulation from high dimensional point cloud data. The code was based on an algorithm originally developed in [Freedman (2007), An Incremental Algorithm for Reconstruction of Surfaces of Arbitrary Codimension Computational Geometry: Theory and Applications, 36(2):106-116]. This algorithm has been modified to accommodate non-manifold surface according to the work described in [S. Martin and J.-P. Watson (2009), Non-Manifold Surface Reconstruction from High Dimensional Point Cloud DataSAND #5272610].The motivation for developing the code was a point cloud describing the molecular conformation space of cyclooctane (C8H16). Cyclooctane conformation space was represented using points in 72 dimensions (3 coordinates for each molecule). The code was used to triangulate the point cloud and thereby study the geometry and topology of cyclooctane. Futures applications are envisioned for peptides and proteins.