C THIS PROGRAM TO CHANGE TRANSLATION OF AN RT OPERATOR
	CHARACTER*40 INFILE,FILENAME
	LOGICAL EFLG
	real*8 M1(3,4),M2(3,4),M3(3,4),M(3,4),ACC(3,4)
	REAL*8 P1(3),P2(3),T(3),cell(3),gcell(3)
	character*40 string
	INTEGER*4 MM,NN,I,J

	WRITE(6,*) 'This vers handles non-orthorh cell (beta <> 90.)'
	WRITE(6,*) 'to enter fractional not grid, specify grid 1. 1. 1.'
	WRITE(6,*) 'ENTER cell extent in grid points a,b,c:'
	read(5,*) (gcell(i),i=1,3)
	WRITE(6,*) 'ENTER cell extent in angstroms a,b,c:'
	read(5,*) (cell(i),i=1,3)
c.	orthogonalize:
	WRITE(6,*) 'ENTER beta angle in degrees (alpha=gamma=90):'
	read(5,*) beta
	pi=4*atan(1.0)
	beta=pi*beta/180.
	cosb= cos(beta)
	sinb=sin(beta)



c 	read operator into m1
5	WRITE(6,*) 'ENTER NAME OF FILE of old rotation-trans op (.o):'
	READ(5,1200) INFILE
1200	FORMAT(A)
	IF (INFILE(:5).EQ.'     ') STOP
	  INQUIRE(FILE=INFILE, NAME=FILENAME,EXIST=EFLG)
	  IF (.NOT.EFLG) GOTO 5
        OPEN (UNIT=2,FILE=INFILE,STATUS='OLD',READONLY)
c	READ(2,*) '.SPACE_GROUP_operators    r   12 (3f12.7)'
	READ(2,'(A40)') string
	do 50 j=1,4
C50	read(2,1151)(M1(I,J),I=1,3)
50	read(2,*)(M1(I,J),I=1,3)
1151	FORMAT(3f14.7)
	CLOSE(UNIT=2)
	MM=3
	NN=4
	CALL MATPRN (M1,MM,NN)

	write(6,*)' enter x y z translations in grid points '
	write(6,*)'  (cell =',(gcell(i),i=1,3),')'
	read(5,*) (t(i),i=1,3)

c	do 100 i=1,3
c100	m1(i,4)=t(i)*cell(i)/gcell(i)

c orthogonalize: a along x, b=b* along y; t(i)=a,b,c, m1(i,4)=x,y,z
100	m1(1,4)=t(1)*cell(1)/gcell(1)+cosb*t(3)*cell(3)/gcell(3)
   	m1(2,4)=t(2)*cell(2)/gcell(2)
	m1(3,4)=sinb*t(3)*cell(3)/gcell(3)


	WRITE(6,*)' NCS OPERATOR:'
	WRITE(6,*)' ROTATE MATRIX'
	DO 1100 I=1,3
1100	WRITE(6,9) (M1(I,J),J=1,3)
	WRITE(6,*)' TRANSLATE '
    	WRITE(6,9) (M1(I,4),I=1,3)
9	FORMAT(' ',3F14.6)
	write(6,*)' this operator will be saved as an O datablock RT.O'
	WRITE(6,*)'  Note this operator is for orthogpnal coord, A translation'
	WRITE(6,*)'  You will have to convert for your cell.    '
	WRITE(6,*) 'ENTER NAME FOR output of resulting rot-trans op (.o):'
	READ(5,1200) filename
	open (unit=3,name=FILENAME,status='unknown')
	WRITE(3,*) '.SPACE_GROUP_operators    r   12 (3f14.7)'
	do 1150 j=1,4
1150	write(3,1151)(M1(I,J),I=1,3)
	goto 5
	END

	SUBROUTINE MATPRN(ARRAY,M,N)
	REAL*8 ARRAY(3,4)
	WRITE(6,*)'M, N=',M,N
	DO 10 I=1,M
10	WRITE (6,50) (ARRAY(I,J),J=1,N)
50	format(8f10.5)
  	RETURN
        END