A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscale.

ABSTRACT: We present a general, robust, and efficient ray-casting-based approach to triangulating complex manifold surfaces arising in the nano-bioscience field. This feature is inserted in a more extended framework that: i) builds the molecular surface of nanometric systems according to several existing definitions, ii) can import external meshes, iii) performs accurate surface area estimation, iv) performs volume estimation, cavity detection, and conditional volume filling, and v) can color the points of a grid according to their locations with respect to the given surface. We implemented our methods in the publicly available NanoShaper software suite (www.electrostaticszone.eu). Robustness is achieved using the CGAL library and an ad hoc ray-casting technique. Our approach can deal with any manif

SUBMITTER: Decherchi S 

PROVIDER: S-EPMC3618509 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature