PROGRAM orthtopdb

c	Reformat orthogonal Diamond file into PDB file.

	CHARACTER*4	res, nres, label
	CHARACTER*60	filnam
	REAL		x(3), cell(6)

c	Get file names

	WRITE (6, 1000) 'Enter orthogonal Diamond file name:'
1000	FORMAT (a)
	READ (5, 1000) filnam
	OPEN (unit=1, form='FORMATTED', status='OLD', readonly,
	1	file=filnam)
	WRITE (6, 1000) 'Enter PDB file name:'
	READ (5, 1000) filnam
	OPEN (unit=2, form='FORMATTED', status='UNKNOWN', file=filnam,
	1	carriagecontrol='LIST')

c	Check header of Diamond file

	READ (1, 1001) cell
1001	FORMAT (6f10.4)
	IF (cell(4) .NE. 90. .OR. cell(5) .NE. 90. .OR.
	1	cell(6) .NE. 90.) THEN
	  WRITE (6, 1000) 'Cell angles not all 90.'
	  goto 9
	endIF
	READ (1, 1000)
	READ (1, 1000)

	DO WHILE (.TRUE.)
1	  READ (1, 1002, end=9) x, b, num, wt, res, nres, label
1002	  FORMAT (4f10.4, 10x, i5, f8.4, 1x, 2a4, 3x, a4)
	  WRITE (2, 1003) num, label, res, nres, x, wt, b
1003	  FORMAT ('ATOM', i7, 2x, 2a4, 1x, a4, 4x, 3f8.3, 2f6.2)

	endDO

9	CLOSE (unit=1)
	CLOSE (unit=2)

	end