character*132 line character*40 flname,outname,imagefile,rflfile,JUNK character*2 number character*10 base real*4 crysx,crysy,crysz,cella,cellb,cellc,beamx,beamy,oscstrt WRITE(6,*)'PROGRAM TO GENERATE DENZO INPUT FILES FROM .PRM FILES' WRITE(6,*)' 921106' WRITE(6,*)'EXTRACTED PARAM WRITTEN TO .DAT FILE FOR EACH IMAGE' WRITE(6,*)' COMBine.COM COPIES THESE WITH TEMPLATE.DAT TO BCXX.DAT.' WRITE(6,*) WRITE(6,*)'*************for ORTHORHOMBIC space group***************' WRITE(6,*)'*******sets beamx, beamy, cellb to constant value!******' write(6,*)' Enter name of denzo param file (readlog, not rl2):' read(5,11) flname 11 format(a40) c open(unit=2,file=flname,status='old',recl=132) open(unit=9,file=flname,status='old') open(unit=4,file='comb.com',status='new',carriagecontrol='list') c write(9,17) c write(6,19) c17 format(' Image Osc.start x-err y-err p-err crysx crysy ' c $ ' crysz cella ', c $ 'cellb beamx beamy rados angos xfx xfy xfxy', c $ ' skew yscale') c19 format(' Image Osc.start x-err y-err p-err crysx crysy ' c $ ' crysz cella ') READ(9,11)JUNK C25 READ(9,141,end=200)rflfile,oscstrt,xe,ye,pe,crysx,crysy,crysz, C $ cella,cellc,beamx,beamy,rados,angos,xfx,xfy,xfxy,skew,yscale C141 format(a10,f7.2, 3f6.2,3f8.3,2f7.2,2f8.3,5f7.3,2f8.5) 25 READ(9,141,end=200)rflfile,oscstrt,xe,ye,pe,crysx,crysy,crysz, $ cella,CELLB,cellc,beamx,beamy,rados,angos,xfx,xfy,xfxy,skew, $ yscale 141 format(a10,f6.1, 3f5.1,3f7.2,3f7.2,2f7.3,5f6.3,2f8.5) 26 if (rflfile(1:1).eq.' ')then rflfile=rflfile(2:) goto 26 endif ccccc beamx=90.4 ccccc beamy=90.2 ccccc cellb=118. write(6,141) rflfile(:8),oscstrt,xe,ye,pe,crysx,crysy,crysz, $ cella,cellc c ,beamx,beamy,rados,angos,xfx,xfy,xfxy,skew,yscale c COMMENT OUT NEXT LINE FOR NON-AV. CHANGE .DA3 BELOW TO .DA2 c rflfile='AV'//rflfile(2:) imagefile=rflfile(:index(rflfile,' ')-1)//'.image''' rflfile =rflfile(:index(rflfile,' ')-1)//'.out' imagefile='''a:'//imagefile i=index(imagefile,'_')+2 base=imagefile(:i+1) number=imagefile(i:i+1) outname='bc'//number//'.dat' open(unit=3,file=outname,status='new',carriagecontrol='list') write(3,103) 103 format('INTERACTIVE') write(3,104) 104 format('FORMAT MAR') write(3,106)imagefile 106 format(' raw data file ',a40) write(3,111)rflfile 111 format(' film output file ',a40) write(3,114)oscstrt 114 format(' oscillation start ',f8.2) write(3,116) beamx 116 format(' X BEAM ',F8.2) write(3,117) beamy 117 format(' Y BEAM ',F8.2) write(3,121)crysx,crysy,crysz 121 format(' crystal rotx ',f8.3,' roty ',f8.3,' rotz ',f8.3) c hexagonal: c write(3,131)cella,cellc c131 format(' unit cell ',f8.3,' a ',f8.3,' 90. 90. 120.') c orthorhombic: write(3,131)cella,cellb,cellc 131 format(' unit cell ',3f8.3,' 90. 90. 90.') write(3,151) rados,angos 151 format('radial offset',f8.3,' angular offset',f8.3) write(3,161) xfx,xfy,xfxy 161 format('crossfire x',f8.3,' y',f8.3,' xy',f8.3) write(3,171) skew 171 format('skew ',f9.5) write(3,181) yscale 181 format('Y scale',f9.5) close (unit=3) write(4,142)outname(:8),outname(:8) 142 format('$copy ',a8,'+template.dat ',a8) goto 25 200 close (unit=4) close (unit=9) end