T_Canonize_conformation< CovalentStructure, ConformationType > Class Template Reference

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>

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

Detailed Description

template<class CovalentStructure, class ConformationType>
class SBL::CSB::T_Canonize_conformation< CovalentStructure, ConformationType >

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).