Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
Coarse_residue< Residue, Chain, Coarse_atom_ > Class Template Reference

#include <coarse_grain.h>

Public Member Functions

template<class Coarse_creator >
int create_coarse_atoms (const Coarse_creator &creator)
void add_coarse_atom (const typename Residue::Atom::Point_3 &pt, unsigned i=0)

Detailed Description

template<class Residue, class Chain, class Coarse_atom_>
class ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >

A coarse-grain residue type

Template Parameters
Residueis a base residue class.
Chainis a chain type.
Coarse_atom_is the Coarse-grain atom type used.

Member Function Documentation

◆ add_coarse_atom()

void add_coarse_atom ( const typename Residue::Atom::Point_3 &  pt,
unsigned  i = 0 

Method to insert a coarse grain atoms using a point.

ptis the coordinates of the pseudo-atom to be added.
iis the index of the pseudo-atom (when a residue is modeled by several).

◆ create_coarse_atoms()

int create_coarse_atoms ( const Coarse_creator &  creator)

Method to insert the coarse grain atoms into that residue, using a coarse grain atom creator.

Template Parameters
Acoarse grain atom creator model of the concept of Coarse grain creator.