ComputeHydrogenBondsOfMolecule_old

How can I compute the hydrogen bonds of a protein?

BALL offers a class HBondProcessor to compute hydrogen bonds of proteins backbone based on topology information. The processor is an implementation of DSSP algorithm

Kabsch W & Sander C (1983). Dictionary of protein secondary 
structure: pattern recognition of hydrogen-bonded and geometrical features. 
Biopolymers, 22, 2577-2637".

#include <BALL/STRUCTURE/HBondProcessor.h>

Protein* protein = ..; 
HBondProcessor hbp;	
protein->apply(hbp);  

std::vector<std::vector<Position> > HBonds_ = hbp.getBackboneHBondPairs();

NOTE: the DSSP algorithm computes hydrogen bonds of the backbone only!