CHARACTER*40 INFILE1,INFILE2,FILENAME LOGICAL EFLG real*8 M1(3,3000),M2(3),d INTEGER*4 I,J,k character*9 atmtypchn, old 1200 FORMAT(A) write(6,*) 'read output of pdbdist3 from a file' write(6,*) 'write grep-script to select close residues' write(6,*) 'listed in second column of pdbdist3 output' c read first file into m1 6 WRITE(6,*) 'ENTER NAME OF file w pdbdist op:' READ(5,1200) INFILE1 IF (INFILE1(:5).EQ.' ') STOP INQUIRE(FILE=INFILE1, NAME=FILENAME,EXIST=EFLG) IF (.NOT.EFLG) GOTO 6 OPEN (UNIT=2,FILE=INFILE1,STATUS='OLD',READONLY) c12345678901234567890123456789012 c 12345678901234567890 c C8 ANT L 6 CA ASN C 33 3.5 write(6,*) write(6,*) 'echo >! close.pdb' write(6,*) 'setenv pdb x.pdb' c read coord 50 read(2,51,end=85) atmtypchn 51 format(32x,A9) c write(6,*) k,nres(k),(m1(i,k),I=1,3) if (atmtypchn.eq.old) goto 50 old = atmtypchn write(6,*) 'grep "',atmtypchn,'" $pdb >> close.pdb' 80 goto 50 85 CLOSE(UNIT=2) END