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

Given a structure , a conformation and a Calpha, translate and rotate the structure so that this Calpha is at the origin, its neighbor C is on the zaxis (negative), and its neighbor N is on the zx plane (x positive) More...
#include <Canonize_conformation.hpp>
Base Geometry  
ConformationType  get_center_of_mass (const ConformationType &C) const 
Given a structure , a conformation and a Calpha, translate and rotate the structure so that this Calpha is at the origin, its neighbor C is on the zaxis (negative), and its neighbor N is on the zx plane (x positive)
Given a structure , a conformation and a Calpha, translate and rotate the structure so that this Calpha is at the origin, its neighbor C is on the zaxis (negative), and its neighbor N is on the zx plane (x positive).