CapriTwoBodyEnergy Class Reference

#include <capri15_scoring.hh>

Inheritance diagram for CapriTwoBodyEnergy:

Public Member Functions
	CapriTwoBodyEnergy ()
	C-tor. More...
virtual scoring::methods::EnergyMethodOP	clone () const
	clone More...
virtual void	residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const
virtual void	eval_atom_derivative (id::AtomID const &, pose::Pose const &, kinematics::DomainMap const &, ScoreFunction const &, EnergyMap const &, Vector &, Vector &) const
virtual void	eval_intrares_energy (conformation::Residue const &, pose::Pose const &, ScoreFunction const &, EnergyMap &) const
virtual bool	defines_intrares_energy (EnergyMap const &) const
virtual Distance	atomic_interaction_cutoff () const
virtual void	indicate_required_context_graphs (utility::vector1< bool > &) const

Detailed Description

centroid score for docking / loop building:

"cyan" experimental data reward RNA contacts to conserved residues in protein

for the latter, seems like we need an alignment to t033_.fasta ? In case we've done some trimming??

K/R centroid contacts to phosphate backbone OP2/OP1 S/T/N/Q centroid contacts to phosphate backbone OP2/OP1 D/E/H centroid contacts to O2'

vdw/hybrid vdw

backbone O to O2' backbone N to OP2, OP1

distance between SAM CE and rGU N1

Constructor & Destructor Documentation

CapriTwoBodyEnergy()

CapriTwoBodyEnergy::CapriTwoBodyEnergy ( )

inline

C-tor.

Member Function Documentation

atomic_interaction_cutoff()

virtual Distance CapriTwoBodyEnergy::atomic_interaction_cutoff ( ) const

inlinevirtual

clone()

virtual scoring::methods::EnergyMethodOP CapriTwoBodyEnergy::clone ( ) const

inlinevirtual

clone

defines_intrares_energy()

virtual bool CapriTwoBodyEnergy::defines_intrares_energy ( EnergyMap const &  ) const

inlinevirtual

eval_atom_derivative()

virtual void CapriTwoBodyEnergy::eval_atom_derivative ( id::AtomID const &  , pose::Pose const &  , kinematics::DomainMap const &  , ScoreFunction const &  , EnergyMap const &  , Vector &  , Vector &    ) const

inlinevirtual

eval_intrares_energy()

virtual void CapriTwoBodyEnergy::eval_intrares_energy ( conformation::Residue const &  , pose::Pose const &  , ScoreFunction const &  , EnergyMap &    ) const

inlinevirtual

indicate_required_context_graphs()

virtual void CapriTwoBodyEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const

inlinevirtual

residue_pair_energy()

void CapriTwoBodyEnergy::residue_pair_energy ( conformation::Residue const &  rsd1, conformation::Residue const &  rsd2, pose::Pose const &  pose, ScoreFunction const &  , EnergyMap &  emap  ) const

virtual

Note

This is a short-ranged energy, only scores neighboring residues, only scores protein-rna intxns !!

References aa, utility::io::oc::cout, numeric::xyzVector< T >::distance_squared(), test.T200_Scoring::emap, test.T200_Scoring::rsd1, and test.T200_Scoring::rsd2.

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

• src/apps/pilot/phil/capri15_scoring.hh