#ifndef _AMINOACID_H_ #define _AMINOACID_H_ #define NAA 20 //number of aminoacids #define NBB 12 //max number of backbones #define NATM_MAX 14 //#define N_GLY 7 //No CB atom //char AA3List[NAA][4] = {"ALA","ARG","ASN","ASP","CYS","GLN","GLU","GLY","HIS","ILE", // "LEU","LYS","MET","PHE","PRO","SER","THR","TRP","TYR","VAL"}; enum RESIDUE_NAME {N_ALA, N_ARG, N_ASN, N_ASP, N_CYS, N_GLN, N_GLU, N_GLY, N_HIS, N_ILE, N_LEU, N_LYS, N_MET, N_PHE, N_PRO, N_SER, N_THR, N_TRP, N_TYR, N_VAL}; enum ATOM_NAME {NA_N, NA_CA, NA_C, NA_O, NA_CB}; class Aminoacid { public: char AA1[2]; char AA3[4]; int size; char atoms[NATM_MAX][4]; Aminoacid(void) {}; ~Aminoacid(void) {}; void Set(int i); }; #endif