PROGRAM nohy c Look through PDB file and remove hydrogens c Change CD of ILE to CD1 so TOM will not object CHARACTER*76 line WRITE (6, 1000) 'Enter input file name:' 1000 FORMAT (a) READ (5, 1000) line OPEN (unit=1, form='FORMATTED', status='OLD', file=line) WRITE (6, 1000) 'Enter output file name:' READ (5, 1000) line OPEN (unit=2, form='FORMATTED', status='NEW', file=line) nat = 0 DO WHILE (.TRUE.) 1 READ (1, 1000, end=9) line IF (line(1:4) .NE. 'ATOM' .AND. line(1:6) .NE. 'HETATM') THEN WRITE (2, 1000) line goto 1 endIF IF (line(14:14) .NE. 'H' .AND. line(13:13) .NE. 'H') THEN nat = nat + 1 WRITE (line(7:11), 1001) nat 1001 FORMAT (i5) IF (line(14:20) .EQ. 'CD ILE') line(16:16) = '1' IF (line(18:21) .EQ. 'TIP3') line(18:21) = 'WAT ' line(22:22) = line(73:73) WRITE (2, 1000) line(1:66) endIF endDO 9 CLOSE (unit=1) CLOSE (unit=2) end