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core::scoring::P_AA_ABEGO3 Class Reference

#include <P_AA_ABEGO3.hh>

Inheritance diagram for core::scoring::P_AA_ABEGO3:
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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::Realp_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::scoring::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.

Note
Only the keys present in the file are given entries

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

Referenced by P_AA_ABEGO3().

Member Data Documentation

utility::vector0< core::Real > core::scoring::P_AA_ABEGO3::p_AA_ABEGO3_
private

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