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HBNetScore.hh File Reference

header file for HBNet filter More...

#include <protocols/hbnet/HBNetScore.fwd.hh>
#include <protocols/filters/Filter.hh>
#include <core/pose/Pose.hh>

Classes

class  protocols::hbnet::HBNetScore
 

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::hbnet
 

Detailed Description

header file for HBNet filter

Calculates HBNet's score used for evaulation and scoring. The score is equal to ( sum of all hbond energies in network / num residues in network ) + penalty for unsatisfaction. The best networks get scores < 0 but there are still some good networks with slightly positive scores ( 0 - 5.0 ) so a threshold of 0 is on the conservative side. More benchmarking needs to be done.

Author
Jack Maguire, jackm.nosp@m.agui.nosp@m.re144.nosp@m.4@gm.nosp@m.ail.c.nosp@m.om