[sharp-discuss] Error in CAD during ARP/wARP on a mac - using example file krel1-SAD

Narayanan Ramasubbu ramasun1 at umdnj.edu
Sun Dec 13 14:33:37 CET 2009


Hi:
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 relvant 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




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