C- RESECTION CCP4 MAP C- READ INTO ARRAY COMMON WITH 256 REAL*4, 256 INT*4, 1 BYTE STRINGS C- PICK OUT THE VALUES FOR A CCP4 DENSITY MAP, BE THEY CHARACTER, INTEGER, C- OR REAL (DENSITIES ARE REAL). CHARACTER*1 BLINE(1024) CHARACTER*36 RECLINE(30) EQUIVALENCE (RECLINE(1),BLINE(1)) real*4 rline(256),RLINE2(256),TCELL(6),CELL1(6),cell2(6) REAL*4 RMX(3,3),RMY(3,3),RMZ(3,3),TEMP(3,3),PROD(3,3),X1(3),X2(3) EQUIVALENCE (RLINE(1),BLINE(1)),(TCELL(1),RLINE(11)) INTEGER*4 LINT(256),ITRANS(3) EQUIVALENCE (LINT(1),BLINE(1)) CHARACTER*80 TTITLE,TITLE,TSYMTRY,SYMTRY EQUIVALENCE (TTITLE,RLINE(57)) EQUIVALENCE (TSYMTRY,RLINE(1)) CHARACTER*50 INFILE,OUTFILE,FILENAME LOGICAL*1 INSIDE DIMENSION RMAP( 500,500) cc******DIMENSION RMAP(NMED,NFAST) FOR INPUT MAP!!! CC******CHANGE 2 PLACES BELOW IN IF BLOCK IF CHANGED HERE! WRITE(6,1001) 1001 FORMAT(//' PROGRAM TO RESECTION CCP4 MAP FILES', @ /' SWAP MEDIUM OR FAST WITH SLOW AXES, WRITE TO NEW.MAP') 5 WRITE(6,1002) 1002 FORMAT(/'$Input filename (CR to quit): ') READ(5,1003) INFILE 1003 FORMAT(A) C IF (INFILE(:5).EQ.' ') STOP C INQUIRE(FILE=INFILE, NAME=FILENAME,EXIST=EFLG) C IF (.NOT.EFLG) GOTO 5 OPEN (UNIT=2,FILE=INFILE,STATUS='OLD',FORM='UNFORMATTED',READONLY) READ(2)(RLINE(I),I=1,256) NFAST=LINT(1) NMED=LINT(2) NSLOW=LINT(3) MAPTYPE=LINT(4) DO 290 I=1,6 290 CELL1(I)=TCELL(I) NX1=LINT(8) NY1=LINT(9) NZ1=LINT(10) NSYMCHAR=RLINE(55) TITLE=TTITLE iaxfast=lint(17) iaxmed=lint(18) iaxslow=lint(19) dmin=rline(20) dmax=rline(21) dmean=rline(22) nsg=lint(23) nsymchar=lint(24) ddev=RLINE(55) ntitle=lint(56) WRITE(6,*)'NFAST, MEDIUM, SLOW=',NFAST,NMED,NSLOW IF ((NFAST.GT.500).OR.(NMED.GT. 500)) THEN STOP 'DIMENSIONED FOR NFAST=500, NMED=500!' ENDIF WRITE(6,*)'MAPTYPE=',MAPTYPE write(6,*)' IAXFAST, MEDIUM, SLOW =',IAXFAST,IAXMED,IAXSLOW WRITE(6,*)'CELL: ',(CELL1(I),I=1,6) WRITE(6,*)'NX1, NY1, NZ1=',NX1, NY1, NZ1 WRITE(6,*)'#CHAR IN SYMOPS',NSYMCHAR WRITE(6,*) TITLE OPEN (UNIT=3,FILE='NEW.MAP',STATUS='NEW',FORM='UNFORMATTED', & RECL=256, RECORDTYPE='FIXED', CARRIAGECONTROL='NONE') C SWAP FAST AND MED AXES: LINT(1)=NMED LINT(2)=NFAST LINT(3)=NSLOW lint(17)=IAXMED lint(18)=IAXFAST lint(19)=IAXSLOW WRITE(3)(RLINE(I),I=1,256) READ(2)(RLINE(I),I=1,256) SYMTRY=TSYMTRY WRITE(6,*)SYMTRY DO 295 I=1,256 295 rline2(I)=rline(I) II=1+NSYMCHAR/4 III=II C !!!!IF NSYMCHAR NOT MULTIPLE OF 4, SHOULD ROUND UP? DO 325 J=1,NSLOW C WRITE(6,*)'SECTION ',J DO 300 I=1,NMED DO 300 K=1,NFAST IF (II.GT.256) THEN READ(2,END=1900)(RLINE(IJ),IJ=1,256) II=1 ENDIF RMAP(I,K)=RLINE(II) C I,J,K CORRESPOND TO NMED, NSLOW, NFAST 300 II=II+1 DO 310 K=1,NFAST DO 310 I=1,NMED IF (III.GT.256) THEN WRITE(3)(RLINE2(IJ),IJ=1,256) III=1 ENDIF RLINE2(III)=RMAP(I,K) C I,J,K CORRESPOND TO NMED, NSLOW, NFAST 310 III=III+1 325 CONTINUE 380 CLOSE(UNIT=2) IF (III.GT.1) WRITE(3)(RLINE(I),I=1,256) CLOSE(UNIT=3) STOP 'NORMAL END' 1900 STOP 'END OF FILE BEFORE END OF MAP' END