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Namespaces | Typedefs
HBNetEnergy.fwd.hh File Reference

Forward declarations for an EnergyMethod that gives a bonus for hydrogen bond networks, which ramps nonlinearly with the size of the networks. More...

#include <utility/pointer/owning_ptr.hh>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pack
 
 core::pack::guidance_scoreterms
 
 core::pack::guidance_scoreterms::hbnet_energy
 

Typedefs

typedef
utility::pointer::shared_ptr
< HBNetEnergy > 
core::pack::guidance_scoreterms::hbnet_energy::HBNetEnergyOP
 
typedef
utility::pointer::shared_ptr
< HBNetEnergy const > 
core::pack::guidance_scoreterms::hbnet_energy::HBNetEnergyCOP
 

Detailed Description

Forward declarations for an EnergyMethod that gives a bonus for hydrogen bond networks, which ramps nonlinearly with the size of the networks.

This energy method is inherently not pairwise decomposible. However, it is intended for very rapid calculation, and has been designed to plug into Alex Ford's modifications to the packer that permit it to work with non-pairwise scoring terms. It has also been modified to permit sub-regions of a pose to be scored.

Author
Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).