HBondProcessor Class Reference
[Miscellaneous]

This processor computes all hydrogen bonds occuring between amino acids in the composite it is applied to. More...

#include <HBondProcessor.h>

Inheritance diagram for HBondProcessor:

List of all members.

Public Member Functions
const std::vector< std::vector< Position > > &	getHBondPairs () const
const std::vector< ResidueData > &	getResidueData () const
	HBondProcessor (const HBondProcessor &hbp)
virtual bool	finish ()
	Finish computes all hbonds of the composite.
virtual Processor::Result	operator() (Composite &composite)
	operator ()
Public Attributes
const float	MAX_LENGTH
const float	BOND_LENGTH_N_H
const float	BOND_LENGTH_C_O
Protected Member Functions
void	preComputeBonds_ (ResidueIterator &data)
Protected Attributes
Vector3	upper_
Vector3	lower_
vector< ResidueData >	residue_data_
	the atom positions per residue
std::vector< std::vector< Position > >	h_bond_pairs_
	vector to store HBondpartners

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Detailed Description

This processor computes all hydrogen bonds occuring between amino acids in the composite it is applied to.

The computation of the bonds follows the criterion given in "Kabsch W & Sander C (1983). Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Biopolymers, 22, 2577-2637".