class Rotamer

Rotamer - Store all possible rotamers

Public Methods

Rotamer()

~Rotamer()

void read_input(const char* rotamer_datfile, const TProt& i_tprot)

read in rotameric info from file

Tor_Rotamer* get_rotamer(int i_res_id, int i_tor_id)

get the rotameric information for given residue type and torsion type

Private Fields

vector<Tor_Rotamer*> rotamer_list

list of rotamers

map<pair<int,int>,Tor_Rotamer*> rot_map

map res id + tor id to their rotamer values

Private Methods

bool check_float(string i_input)

Documentation

Rotamer - Store all possible rotamers

Rotamer()

~Rotamer()

void read_input(const char* rotamer_datfile, const TProt& i_tprot)

read in rotameric info from file

Tor_Rotamer* get_rotamer(int i_res_id, int i_tor_id)

get the rotameric information for given residue type and torsion type

bool check_float(string i_input)

vector<Tor_Rotamer*> rotamer_list

list of rotamers

map<pair<int,int>,Tor_Rotamer*> rot_map

map res id + tor id to their rotamer values

This class has no child classes.

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