#include <P_AA_ABEGO3.hh>

Inheritance diagram for core::scoring::P_AA_ABEGO3:

Public Member Functions
	P_AA_ABEGO3 ()
	This constructor loads the ABEGO and AA frequencies from disk and is intended to be loaded only by the ScoringManager. More...

void	read_P_AA_ABEGO3 ()
	Read the ss-dep amino acid probability file into P_AA_ABEGO3. More...

core::Real	P_AA_ABEGO3_energy (char abego_previous, char abego_current, char abego_next, chemical::AA aa) const
	Probability energies from P(aa\|abego triplet) More...

Private Attributes
utility::vector0< core::Real >	p_AA_ABEGO3_

Constructor & Destructor Documentation

core::scoring::P_AA_ABEGO3::P_AA_ABEGO3 ( )

This constructor loads the ABEGO and AA frequencies from disk and is intended to be loaded only by the ScoringManager.

ctor – Initialize the amino acid probability data structures

References read_P_AA_ABEGO3().

Member Function Documentation

core::Real core::scoring::P_AA_ABEGO3::P_AA_ABEGO3_energy	(	char	abego_previous,
		char	abego_current,
		char	abego_next,
		chemical::AA	aa
	)		const

Probability energies from P(aa|abego triplet)

Returns -ln ( P(aa|abego3) / P(aa) ) where abego3 is the sequence of 3 ABEGO (ramachandran map) values, centered on the aa in question. This measures how much the aa is conducive to (or can tolerate) being in the current backbone conformation.

References core::scoring::abego3aa_to_index(), core::chemical::num_canonical_aas, p_AA_ABEGO3_, and core::scoring::TR().

Referenced by core::energy_methods::Abego::setup_for_scoring().

void core::scoring::P_AA_ABEGO3::read_P_AA_ABEGO3 ( )

Read the ss-dep amino acid probability file into P_AA_ABEGO3.

Read the amino acid probability file into P_AA_ABEGO3.