C ======================================================================== C C I. Common arrays for informations of chemical structure C C ------------------------------------------------------------------------ COMMON /ATOM_STR/ N_PHI,VDW_RAD,ION_RAD,ATM_CHARGE * ,ATM_DIST,ATM_THETA,ATM_PSI * ,IATM_BACK,IATM_FOR,IATM_EXTR,IATM_EXTR2,IATM_EXTR3 * ,ID_PHI,ID_TREE,CHEM_TYPE,HB_TYPE,ID_PSI REAL VDW_RAD (MAXATOM) REAL ION_RAD (MAXATOM) REAL ATM_CHARGE(MAXATOM) REAL ATM_DIST (MAXATOM) REAL ATM_THETA (MAXATOM) REAL ATM_PSI (MAXATOM) INTEGER*4 N_PHI INTEGER*4 IATM_BACK (MAXATOM) INTEGER*4 IATM_FOR (MAXATOM) INTEGER*4 IATM_EXTR (MAXATOM) INTEGER*4 IATM_EXTR2(MAXATOM) INTEGER*4 IATM_EXTR3(MAXATOM) INTEGER*4 ID_PHI (MAXATOM) INTEGER*4 ID_TREE (MAXATOM) CHARACTER CHEM_TYPE (MAXATOM)*4 CHARACTER HB_TYPE (MAXATOM)*1 CHARACTER ID_PSI (MAXATOM)*4 C ----------------------------------------------------------- C VDW_RAD - Van_der_Waals radius. C ATM_CHARGE - Charge C C ATM_DIST - C ATM_THETA - r,theta,psi coordinates C ATM_PSI - C C IATM_BACK - tree like structure C IATM_FOR - C IATM_EXTRA - C C ID_PHI - pointer to array variable angles Phi: PHI_VAR C CHEM_TYPE - chemical type. C HB_TYPE - Type of hydrogen. Donor "D",acceptor "A",both "B" or "N". C ID_PSI - id of angle PSI /constant or variable/ C N_PHI - number of variable angles Phi = Psi C C ==========================================================