PROFASI  Version 1.5
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prf::HBContact Class Reference

A ContactFunction based on hydrogen bonds. More...

#include <ContactFunctions.hh>

Inheritance diagram for prf::HBContact:
Inheritance graph

Detailed Description

This contact function checks if there is a hydrogen bond between two given amino acids, represented by the contact. That is, for a given Contact object with elements i and j, it returns true if there is a hydrogen bond with a donor (NH) on i and an acceptor (CO) on j. The cutoff to decide when to regard a hydrogen bond as formed is tunable. The function looks only at the backbone backbone hydrogen bonds. The indices i and j are to be interpreted as ligand indices relative to the entire population, starting from 0. This is for consistency with other ContactFunctions.

The documentation for this class was generated from the following files:

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2