Well - cad cant work with that script so somehow it is being generated
wrongly, presumanly in Arp/warp stage..
It would need input such as:
LABIN FILE 1 E1=FBshasol E2 = something - presumably SIGFBshasol
Eleanor
Narayanan Ramasubbu wrote:
> Hi:
> Sorry for the same posting in here as well but I thought may be some of
> you might have encountered the same problem but may not be subscribing
> to sharp list.
>
> I am trying run sharp/autoSHARP on a mac (os x 10.4) using the guven
> example file: krel1-SAD.0
> I am getting an error at the CAD as provided below
> ++++++++++++++++++++++
> The parameter file is:
> /Users/subbu/sharp/sharpfiles/logfiles_local/krel-SAD.1/wARP_49.4pc/20091213_080749/arp_warp_tracing.par
>
>
> Entering warp_tracing.sh from the command line
> The working directory is:
> /Users/subbu/sharp/sharpfiles/logfiles_local/krel-SAD.1/wARP_49.4pc/20091213_080749
>
>
> ARP/wARP will run in the subdirectory: temp_tracing
>
> Building free atoms model
>
> Initial map will be calculated with pre-weighted amplitudes ...
> CAD: Error in label assignments in LKYSET
>
> QUITTING ... ARP/wARP module stopped with an error message:
> CAD
> ++++++++++++++++++++++
>
> The relevant CAD log file is also attached below
>
> ++++++++++++++++++++++++
> Chosen Asymmetric unit of reciprocal space:
> [mmm] hkl:h>=0, k>=0, l>=0
>
>
> ** "Missing" flag set in HKLIN1 to Nan:
>
>
> ** "Missing" entries LISTED as -999.000
> Data line--- LABIN E1=FBshasol E2
> MtzParseLabin: run out of labels trying to match "E2"
> CAD: Error in label assignments in LKYSET
>
> ++++++++++++++++++++++
>
> This happened on another dataset so I wanted to see whether the example
> file runs ok.
>
> Please help
>
> Subbu
|