[sharp-discuss] sharp error: No column "FP" of type "F" found in file

[Francis E Reyes]

On Nov 4, 2011, at 6:49 AM, Sabine Schneider wrote:

> Hello everyone,
> 
> I got an Fe peak dataset extending to about 4A.
Fe peak dataset? You using an FeS cluster? 

> I also got a native 
> dataset to 2.6A and a crapy MR solution.

> Symmetry seems to be P43212, 1mol/asu
> I want to use sharp to combine all these and hope to get interpretable 
> maps.

SHARP is great for this. 

> So I used CAD to add to put the native togehter with the peak data and 
> the phases from Phaser.
> 
> First I used the MR phases to find the iron (1 in 30kDa) in an anomalous 
> difference fourir map. - looks reasonable
> 
> So I fed autosharp (1 wavelength MIR) with the mtz from CAD 
> (ccp4-6.2.0). The first thing I noticed that despite beeing defined as 
> 'expert user', sharp does not automatically gives me the option 'using 
> external phases'. This wasn't showing up either when re-running an old 
> job, where I had used that option with a different mtz file in sharp of 
> autosharp.

Using external phases is available using regular sharp. 

> 
> Since I didn't want to use the MR phases initially anyway, I just 
> ignored it and keep going.

MR or the MRSAD that you got from phaser? 

> But when I submitted the job to sharp it stopped with the
> 
> 
>       1.1.2 Columns
>  ERROR   : No column "FP" of type "F" found in file
> 
> /home/sabine/Progs_scripts/sharp/users/sabine/None.sharp/datafiles/XXX.mtz!
> 

> Doing mtzdmp on the file from CAD returns:
> H K L FP SIGFP FreeR_flag FP_pk SIGFP_pk DANO_pk SIGDANO_pk ISYM FWT 
> PHWT HLA HLB HLC HLD
> 
> Than I run CAD  again and produced a file without the phases and  got a 
> file only with H K L FP SIGFP F_pk SIGF_pk DANO_pk SIGDANO_pk ISYM_pk
> 
> Which returns the same sharp error.
> 

Your setting the column labels wrong (from the autosharp web gui). 
Your native labels seem to be FP and SIGFP.. 
Your derivative labels should be F_pk, SIGF_pk, DANO_pk, SIGDANO_pk, ISYM_pk 

I imagine your 'derivative' is at Fe peak? 

What is the nature of the derivative? (bound Fe, Fe-S cluster?)



> An old job of mine is running , also as I said the external-phase panel 
> is not visible.

It's only when you run regular sharp.




My suggestion, allow autoSHARP to combine your datasets and from the final.mtz start up regular sharp and go from there. 

Regular SHARP is not as automated (but with it you can do so much more than regular autosharp)I just finished a structure solution at 4A where I had phases from a variety of sources (MR, isomorphous difference, anomalous differences). I'd gladly share my (technical) experience with SHARP off list. 
F



---------------------------------------------
Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder