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
