Re: [ccp4bb]: Additional capability needed for CIF generation in mtz2various

[UW/BMSC CCP4 users <CCP4@gouda.bmsc.washington.edu>]

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>    When using mtz2various & for the case of a 'CIF' output option.. 
>    the program will 'only' accept the following list of input labels:
>
>    H, K, L, FP, SIGFP, DP, SIGDP, FC, PHIC, FOM, I+, SIGI+, I-, SIGI- 
                                                   ^^^^^^^^^^^^^^^^^^^^
>    FPART_BULK_S, PHIPART_BULK_S and FREE 
> 
>    For example, if you have an MTZ file, say inputref.mtz (which also
>    has the anamolous data), with the following column labels:
>
>    A simple example script is:
>
>   mtz2various   \
>   HKLIN inputref.mtz \
>   HKLOUT outputref.cif <<E
>   OUTPUT CIF data_sf
>   LABI I(+)=IMEAN   SIGI(+)=SIGIMEAN  FREE=FreeR_flag
         ^^^^         ^^^^^^^
>   END


Aha. A million thanks.  

So the problem is in the documentation, as you quote above, in that 
it fails to show required parentheses around the + and - signs.  
I had already tried  
	LABIN I+=I SIGI+=SIGI  
in my input but the error message it generated was not helpful.

				Ethan

-------------------------------------------------------------------
Ethan A Merritt                         K428b Health Sciences
Dept of Biological Structure            phone: (206)543-1421
University of Washington
Seattle, WA 98195-7742                  merritt@u.washington.edu
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