[sharp-discuss] Problems using shelx format HKL files

[Clemens Vonrhein]

Dear Vidya,

first a warning: I haven't used SHELX HKL4 formatted input files very
often ... hardly ever I must say. I usually start from SCALEPACK files
(since SCALA can write them now as well).

Having said that, it should still work. But: since those files don't
have an informative header you need to supply the cell parameters as
well for each datafile. There is a bit of an issue with this though:
you probably have to declare yourself as an expert (in the preferences
frmo the main SHARP Control panel) - otherwise those cell parameter
input boxes aren't presented.

Does that work?

I should have another look at it again to see if it needs fixing -
thanks for reminding us.

Cheers

Clemens


On Mon, Feb 23, 2009 at 05:22:29PM +0000, Vidya Chandran wrote:
> Hello,
> 
> I had a working sharp installation on my laptop wherein I could use 
> shelx format HKL files as datafiles. I recently acquired shelx programs 
> and reconfigured my setup and since then I can't get my autosharp 
> working on shelx format HKL files or unmerged Scalepack format files. I 
> have tried to delete my entire installation and move shelx files out of 
> the path and try again and I get the same error.
> 
>  1.1.1 converting to MTZ [HKL4]
> 
>  ERROR   : not enough arguments given: exactly 7 arguments expected in 
> function
>            autoSHARP_F2MTZCOMBAT
> 
> I have used the same files before and it had worked fine, so I am quite 
> puzzled. My ccp4 setup hasn't changed either.
> 
> Any help would be useful to get this working.
> 
> Thanks a lot,
> Vidya.
> _______________________________________________
> sharp-discuss mailing list
> sharp-discuss at globalphasing.com
> https://www.globalphasing.com/mailman/listinfo/sharp-discuss

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