c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################## c ## ## c ## pdb.i -- definition of a Protein Data Bank structure ## c ## ## c ############################################################## c c c xpdb x-coordinate of each atom stored in PDB format c ypdb y-coordinate of each atom stored in PDB format c zpdb z-coordinate of each atom stored in PDB format c npdb number of atoms stored in Protein Data Bank format c nres number of residues stored in Protein Data Bank format c resnum number of the residue to which each atom belongs c resatm number of first and last atom in each residue c npdb12 number of atoms directly bonded to each CONECT atom c ipdb12 atom numbers of atoms connected to each CONECT atom c pdblist list of the Protein Data Bank atom number of each atom c pdbtyp Protein Data Bank record type assigned to each atom c atmnam Protein Data Bank atom name assigned to each atom c resnam Protein Data Bank residue name assigned to each atom c chnsym string with PDB chain identifiers to be included c altsym string with PDB alternate locations to be included c instyp string with PDB insertion records to be included c c integer npdb,nres integer resnum,resatm integer npdb12,ipdb12 integer pdblist real*8 xpdb,ypdb,zpdb character*1 altsym character*3 resnam character*4 atmnam character*6 pdbtyp character*20 chnsym character*20 instyp common /pdb/ xpdb(maxatm),ypdb(maxatm),zpdb(maxatm),npdb,nres, & resnum(maxatm),resatm(2,maxatm),npdb12(maxatm), & ipdb12(maxval,maxatm),pdblist(maxatm),pdbtyp(maxatm), & atmnam(maxatm),resnam(maxatm),chnsym,altsym,instyp