\( \newcommand{\E}{\mathrm{E}} \) \( \newcommand{\A}{\mathrm{A}} \) \( \newcommand{\R}{\mathrm{R}} \) \( \newcommand{\N}{\mathrm{N}} \) \( \newcommand{\Q}{\mathrm{Q}} \) \( \newcommand{\Z}{\mathrm{Z}} \) \( \def\ccSum #1#2#3{ \sum_{#1}^{#2}{#3} } \def\ccProd #1#2#3{ \sum_{#1}^{#2}{#3} }\)

CGAL 4.3 - 3D Skin Surface Meshing

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Skin_surface_3/skin_surface_pdb_reader.cpp
#include <CGAL/Exact_predicates_inexact_constructions_kernel.h>
#include <CGAL/Skin_surface_3.h>
#include <CGAL/Polyhedron_3.h>
#include <CGAL/mesh_skin_surface_3.h>
#include <CGAL/Skin_surface_polyhedral_items_3.h>
#include <list>
#include <ESBTL/CGAL/EPIC_kernel_with_atom.h>
#include <ESBTL/default.h>
typedef ESBTL::CGAL::EPIC_kernel_with_atom K;
typedef ESBTL::CGAL::Default_system System;
typedef CGAL::Skin_surface_traits_3<K> Traits;
typedef CGAL::Skin_surface_3<Traits> Skin_surface_3;
typedef Skin_surface_3::FT FT;
typedef Skin_surface_3::Weighted_point Weighted_point;
typedef Weighted_point::Point Bare_point;
typedef CGAL::Polyhedron_3<K> Polyhedron;
#include <list>
#include <fstream>
#include "skin_surface_writer.h"
#include "include/extract_balls_from_pdb.h"
int main(int argc, char *argv[]) {
const char *filename;
if (argc == 2) {
filename = argv[1];
} else {
filename = "data/4lfq.pdb";
}
std::list<Weighted_point> l;
double shrinkfactor = 0.5;
//Container for molecular system
std::vector<System> systems;
// Retrieve input balls:
extract_balls_from_pdb<K>(filename,systems,std::back_inserter(l));
// Construct skin surface:
std::cout << "Constructing skin surface..." <<std::endl;
Skin_surface_3 skin_surface(l.begin(), l.end(), shrinkfactor);
// Extract mesh from the skin surface:
std::cout << "Meshing skin surface..." <<std::endl;
Polyhedron p;
CGAL::mesh_skin_surface_3(skin_surface, p);
std::ofstream out("mesh.off");
out << p;
return 0;
}