Re: [ccp4bb]: Trouble using CAD to append SIGFP and Rfree columns to SHARPsolvent-flattened mtz file

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

***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

Melissa EDELING wrote:
> 
> ***  For details on how to be removed from this list visit the  ***
> ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> 
> Dear all
> 
> I'm having trouble appending a SIGFP and Rfree column to my
> solvent-flattened SHARP.mtz file. Although the data is present in the
> input mtz file, CAD writes out zeros in place of SIGF/Rfree. It's as if it
> has trouble reading this mtz file that has been output from sharp, but
> then again mtzdump works alright...
> 
> Any ideas?
> Thanks
> Melissa
  I dont know - I can do it!

 Here is the head of a log file:
cad \
hklin1 j.mtz \
hklin2 junk*dm1*19.mtz \
hklin3 ~/eden.mtz \
HKLOUT dm-av-noav-sharp.mtz << eof

labi file 1 allin
labi file 2 E1=PHIDMnoav E2=FOMDMnoav E3=FDMnoav


labi file 3 E1=FP E2=SIGFP E3=HLA E4=HLB E5=HLC E6=HLD -
            E7 =PHIB E8=FOM E9 =NUMORB
labo file 3 E1=FPsharp E2=SIGFPsharp E3=HLAsharp E4=HLBsharp E5=HLCsharp
E6=HLDsharp -                 E7=PHIBsharp E8=FOMsharp E9=NUMORBsharp

end


Eleanor Dodson