CHARACTER*40 INFILE,FILENAME LOGICAL EFLG real*8 M1(3,100),d(100) INTEGER*4 I,J,k 1200 FORMAT(A) c read operator into m2 6 WRITE(6,*) 'ENTER NAME OF pdb file (atom recds only):' READ(5,1200) INFILE IF (INFILE(:5).EQ.' ') STOP INQUIRE(FILE=INFILE, NAME=FILENAME,EXIST=EFLG) IF (.NOT.EFLG) GOTO 6 c OPEN (UNIT=2,FILE=INFILE,STATUS='OLD',READONLY) OPEN (UNIT=2,FILE=INFILE,STATUS='OLD') k=1 c read coord 50 read(2,51,end=1160) (m1(i,k),I=1,3) 51 format (30x,3d8.3,2f6.2) c write(6,111) (m1(i,k),I=1,3) do 100 j=1,k x=0. do 90 i=1,3 90 x=x+(m1(i,k)-m1(i,j))**2 100 d(j)=sqrt(x) 110 write (6,111)(d(j),j=1,k) 111 format (' ',16f6.2) k=k+1 goto 50 1160 CLOSE(UNIT=2) END