Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.

Authors: F. Cazals and T. Dreyfus
The 3D weighted complex is intensively used in the SBL library for modeling molecules. This package provides two major tools for:
These functionality are provided for the 3D weighted complex data structures of the CGAL library, namely CGAL::Alpha_shape_3 and CGAL::Fixed_alpha_shape_3.
It uses the package Molecular_viewers for creating input files of molecular viewers such as PyMOL or VMD for visualizing the simplices of a 3D weighted complex, except the tetrahedra. The package Molecular_viewers works as follows :
There are two ways to output a 3D weighted complex:
See Visualization with VMD for an example.
It uses the Boost serialization library for serializing the vertices of the complex. More precisely, each vertex of the complex can be serialized exactly as the vertex of the underlying triangulation, as defined in the package Triangulations_extensions_3.
See Serializing the vertices for an example.
The following example load a plain text file of 3D spheres, compute the complex of the input, and save in a visualization state file for VMD the vertices, edges and faces of the complex. Note that the vertices are represented as 3D transparent red spheres, while the other simplices are represented with opaque red geometric objects.
The following example load a plain text file of 3D spheres, compute the complex of the input, and save in an archive the vertices of the output complex.