REAL*4 V(3),XMIN(3),XMAX(3),XOFF(3),RM(3,3),A,B,ANGLE,COSA,SINA INTEGER I,J,K,I1,I2,I3 CHARACTER*15 RESI CHARACTER*40 FNAME1, FNAME CHARACTER*1 AXIS character*80 astring 30 TYPE *,'ENTER FILE NAME OF RDI FILE TO CENTER IN UNIT CELL:' 35 read(5,40)FNAME1 IF (FNAME1.EQ.'Q') GOTO 501 40 FORMAT (A40) OPEN(UNIT=2,FILE=FNAME1,STATUS='OLD') TYPE *,'ENTER FILE NAME FOR OUTPUT:' read(5,40)FNAME DO 41 I=1,3 XMIN(I)=1000. 41 XMAX(I)=-1000. DO 42 I=1,3 42 read(2,49) astring 49 format (a80) 45 read(2,50,END=101) (v(i),i=1,3),a,I1,I2,I3,B,RESI C 20.000 32.000 4.000 0.000 2 1 0 1.00 ALA 1 N 50 format (4f10.3,3I5,f8.2,A15) C50 format (4f10.3,3I5,f8.2,' ALA 1 N ') C50 format ('HETATM',I5,' N ALA A 1 ',3f8.3,2f6.2) DO 47 I=1,3 IF (V(I).GT.XMAX(I)) XMAX(I)=V(I) 47 IF (V(I).LE.XMIN(I)) XMIN(I)=V(I) GOTO 45 101 CLOSE (UNIT=2) C (REWIND WOULD BE BETTER!) DO 48 I=1,3 XOFF(I)=10.-XMIN(I) 48 WRITE(6,*) 'AXIS#',I,'MIN, MAX, AND PROPOSED OFFSET:',XMIN(I), . XMAX(I),XOFF(I) OPEN(UNIT=2,FILE=FNAME1,STATUS='OLD') OPEN(UNIT=3,FILE=FNAME,STATUS='NEW') PI=4*ATAN(1.) WRITE(6,*)'PI=',PI,' ANGLE=',ANGLE read(2,49) astring write(3,*) astring write(6,*) astring read(2,49) astring write(6,*)'title from input file:',astring write(3,*) astring read(2,49) astring write(3,*) 'TRANSLATED IN X,Y,Z BY',(XOFF(I),I=1,3) 55 read(2,50,END=501) (v(i),i=1,3),a,I1,I2,I3,B,RESI do 90 i=1,3 90 V(i)=V(i)+XOFF(I) C write(3,50) i1,i2,(w(i),i=1,3),a,b WRITE(3,50) (V(i),i=1,3),a,I1,I2,I3,B,RESI GOTO 55 501 CONTINUE CLOSE(UNIT=2) CLOSE(UNIT=3) END