C--- More models data. Only the most important variables of atomic part and residue part of atom_com.fh c--- is implemented at the moment. The rest is for 6.0 (?) c c depends on atom_com.fh c integer MAXN_MODELS parameter (MAXN_MODELS = 2) c wanrning: another MAXN_MODELS is defined in weights.fh (these two should be identical though!) c--- ATOM part. integer n_atom_mod(MAXN_MODELS) integer n_atom_mod_max REAL XYZ_CRD_mod (3,MAXATOM,MAXN_MODELS) REAL SD_CRD_mod (3,MAXATSD,MAXN_MODELS) REAL U_ANISO_mod (6,MAXATOM,MAXN_MODELS) REAL SD_ANISO_mod (6,MAXATSD,MAXN_MODELS) REAL OCCUP_mod (MAXATOM,MAXN_MODELS) REAL SD_OCC_mod (MAXATSD,MAXN_MODELS) INTEGER MULT_FACTOR_mod(MAXATOM,MAXN_MODELS) integer id_sf_mod(MAXATOM,MAXN_MODELS) integer ATOM_REF_mod_FLAG(MAXATOM,MAXN_MODELS) INTEGER OCCUP_REF_mod(MAXATOM,MAXN_MODELS) real occup_anom_mod(maxatom,MAXN_MODELS) real u_anom_mod(6,maxatom,MAXN_MODELS) REAL UANISO_old_mod (6,MAXATOM,MAXN_MODELS) c ---- for tls integer igroup_mod(maxatom,MAXN_MODELS) c ---- for pdb INTEGER*4 I_ATOLD_mod(MAXATOM,MAXN_MODELS) CHARACTER ATM_NAME_INP_mod(MAXATOM,MAXN_MODELS)*4 CHARACTER ATM_TYPE_mod(MAXATOM,MAXN_MODELS)*1 CHARACTER ID_ALT_mod(MAXATOM,MAXN_MODELS)*1 INTEGER*4 I_RESID_mod(MAXATOM,MAXN_MODELS) CHARACTER RES_NAME_mod(MAXRESID,MAXN_MODELS)*16 CHARACTER RES_NUM_PDB_mod(MAXRESID,MAXN_MODELS)*12 COMMON /ATOM_MODELS_CRD/ XYZ_CRD_mod,SD_CRD_mod,U_ANISO_mod, * SD_ANISO_mod,OCCUP_mod,SD_OCC_mod,MULT_FACTOR_mod, * id_sf_mod,n_atom_mod,n_atom_mod_max, * ATOM_REF_mod_FLAG,OCCUP_REF_mod, * occup_anom_mod,u_anom_mod,uaniso_old_mod,igroup_mod, * I_RESID_mod,RES_NAME_mod,RES_NUM_PDB_mod, * ATM_NAME_INP_mod,I_ATOLD_mod,ID_ALT_mod,ATM_TYPE_mod logical ligin1 common /lig/ ligin1