Re: [ccp4bb]: sigmaa and HL coefficients

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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 Strange this should have come up now..

I just found a bug in this last weak, and this seemed to produce a fix

Ignore the line numbers - I was adding prints all over the place, but
you see the problem: there was no check on whether IFC existed before
called the variable LOGMSS(IFC) and this overwrote various arrays.

 Once these 2 fixes were done it worked as I expected.


 Eleanor


 ***************
*** 1629,1635 ****
  
          END IF
  C
!       IF (IFC.GT.0 .AND. .NOT.LOGMSS(IFC)) THEN
          IF (.NOT. LOGMSS(IFO)) ADATA(NCOL+1) = FOUTD
                                 ADATA(NCOL+2) = FOUT
          IF (LOGMSS(IFO))       ADATA(NCOL+2) =  -FOUT
--- 1626,1632 ----
  
          END IF
  C
!       IF (.NOT.LOGMSS(IFC)) THEN
          IF (.NOT. LOGMSS(IFO)) ADATA(NCOL+1) = FOUTD
                                 ADATA(NCOL+2) = FOUT
          IF (LOGMSS(IFO))       ADATA(NCOL+2) =  -FOUT
***************
*** 1636,1642 ****
  C         = DLUZ*FC for acentrics, and 0.0 for centrics
        END IF
          IF (INDPAR .GT. 0) THEN
!           IF (IFC.GT.0 .AND. .NOT. LOGMSS(IFC)) THEN
               IF (.NOT. LOGMSS(IFO)) THEN
                 ADATA(NCOL+1) = FOUTD
                 ADATA(NCOL+2) = ALFOUTD
--- 1633,1639 ----
  C         = DLUZ*FC for acentrics, and 0.0 for centrics
        END IF
          IF (INDPAR .GT. 0) THEN
!           IF (.NOT. LOGMSS(IFC)) THEN
               IF (.NOT. LOGMSS(IFO)) THEN
                 ADATA(NCOL+1) = FOUTD
                 ADATA(NCOL+2) = ALFOUTD
***************
rnst@UTBC08.CM.UTEXAS.EDU wrote:
> 
> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> Has anyone had experience with the sigmaa  <combine mir2> option?
> 
>

 Yes - see above..