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BuriedUnsatPenaltyCreator.hh File Reference

Creator for an EnergyMethod that gives a penalty for buried unsatisfied hydrogen bond donors and acceptors. 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::buried_unsat_penalty::BuriedUnsatPenaltyCreator
 

Namespaces

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

Detailed Description

Creator for an EnergyMethod that gives a penalty for buried unsatisfied hydrogen bond donors and acceptors.

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).