HBNetEnergyCreator.hh File Reference

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

#include <core/scoring/methods/EnergyMethodCreator.hh>
#include <core/scoring/methods/EnergyMethodOptions.fwd.hh>
#include <core/scoring/methods/EnergyMethod.fwd.hh>
#include <utility/vector1.hh>

Classes
class	core::pack::guidance_scoreterms::hbnet_energy::HBNetEnergyCreator

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

Detailed Description

Creator 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.

Author

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