class Prediction

Prediction - framework for algorithm to move atom positions so as to find the best conformation

Public Methods

Prediction(Rotamer &i_rotamer, PE &i_pe, Prot& i_prot, TProt& i_tprot)

~Prediction()

void init()

build initial protein

void move_at(long i_at_id, int i_tor_id, int i_rot_id)

move 1 atom

void unmove()

unmove previous move which may be 1 atom or a group of atoms

const Prot& get_const_prot() const

Prot& get_prot()

Private Fields

vector<Unmove_Info> unmove_info

list of moves currently made

Prot prot

the actual protein

TProt tprot

the type information

PE pe

the pe function

Rotamer rotamer

the rotamer library

Documentation

Prediction - framework for algorithm to move atom positions so as to find the best conformation

Prediction(Rotamer &i_rotamer, PE &i_pe, Prot& i_prot, TProt& i_tprot)

~Prediction()

void init()

build initial protein

void move_at(long i_at_id, int i_tor_id, int i_rot_id)

move 1 atom

void unmove()

unmove previous move which may be 1 atom or a group of atoms

const Prot& get_const_prot() const

Prot& get_prot()

vector<Unmove_Info> unmove_info

list of moves currently made

Prot prot

the actual protein

TProt tprot

the type information

PE pe

the pe function

Rotamer rotamer

the rotamer library

This class has no child classes.

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