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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Given a structure , a conformation and a C-alpha, translate and rotate the structure so that this C-alpha is at the origin, its neighbor C is on the z-axis (negative), and its neighbor N is on the zx plane (x positive) More...
#include <Canonize_conformation.hpp>
Public Types | |
typedef SBL::Models::T_Conformation_traits< ConformationType > | Conformation_traits |
typedef Conformation_traits::FT | FT |
typedef CovalentStructure::Particle_rep | Particle_rep |
typedef CGAL::Exact_predicates_inexact_constructions_kernel | K |
typedef K::Point_3 | Point_3 |
typedef K::Vector_3 | Vector_3 |
typedef std::map< int, Point_3 > | Canonized_segment |
Functors | |
Canonized_segment | operator() (const CovalentStructure &S, const ConformationType &C, Particle_rep Ca, int n, bool use_virtual_atom) const |
ConformationType | operator() (const CovalentStructure &S, const ConformationType &C, Particle_rep Ca) const |
Base Geometry | |
ConformationType | get_center_of_mass (const ConformationType &C) const |
Given a structure , a conformation and a C-alpha, translate and rotate the structure so that this C-alpha is at the origin, its neighbor C is on the z-axis (negative), and its neighbor N is on the zx plane (x positive)
Given a structure , a conformation and a C-alpha, translate and rotate the structure so that this C-alpha is at the origin, its neighbor C is on the z-axis (negative), and its neighbor N is on the zx plane (x positive).
typedef std::map<int, Point_3> Canonized_segment |
typedef SBL::Models::T_Conformation_traits<ConformationType> Conformation_traits |
typedef Conformation_traits::FT FT |
typedef CGAL::Exact_predicates_inexact_constructions_kernel K |
typedef CovalentStructure::Particle_rep Particle_rep |
typedef K::Point_3 Point_3 |
typedef K::Vector_3 Vector_3 |
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