#ifndef _RESIDUE_H_ #define _RESIDUE_H_ #include #include using namespace std; #include "atom.h" #include "chain.h" class Residue { public: Chain *chain; // our chain Residue *prev; //previous residue Residue *next; //next residue char chain_name; //chain symbol int model; // model number char res; // residue name in 1-letter code char *name; // residue name in 3-letter code int res_idx; // numerical residue index (for compartability with Chain) int number; //residue_number from pdb file char icode; //insertion iCODE int n_atoms; //number of atoms of residue Atom *atoms[NATM_MAX]; // list of pointers to the residue Atom atoms map< string, Atom *> atom; // named list of pointers to the residue Atom atoms Residue( Chain *C, int resno ); ~Residue(void); void MakeVirtualCb( double K = 1 ); void WritePDB( int i, int &i_seq, int &mdl, FILE *out ); }; #endif