[sharp-discuss] ARP/wARP 6.0 running error

natalia moiseeva moiseeva@usc.edu
Wed, 25 Sep 2002 20:33:09 -0700


Hello,

I have a problem of running ARP/wARP 6.0 with current SHARP version. After submitting a job for automated model building I got the following error message:
running arpwarp.sh.....
step 2.3 building initial model
error: program terminated in ARP_wARP, see *.log
the information from log file:

###############################################################################
 ### ARP/wARP Program Suite: ARP Ver. 6.0  20 Jun 2002 V.Lamzin & A.Perrakis ###
 ############ Copyright 1998 European Molecular Biology Laboratory #############
 ###############################################################################

 User: Unknown  Run date: 25.09.02  Run time:19:29:54

    0.00 CPU        0 Elapsed  
 Data line --  MODE MIRBUILD

 Required keywords:
 FILES        CCP4 file_names
 CELL         cell parameters
 SYMM         spacegroup
 RESOLUTION   resmin resmax
 MIRBUILD     ATOMS number MODELS number RESNAM WAT/DUM


 END (must be the last keyword)

 Data line --  FILES CCP4 MAPFIND ./files/mapmask.map XYZOUT1 ./files/arp_warp_cycle0
               .pdb
 Data line --  SYMM 19

   Space group number         19     P212121   
   No of symmetry operators    4

   1 symmetry matrix (identity matrix) and translation vector:
   1.000   0.000   0.000       0.000
   0.000   1.000   0.000       0.000
   0.000   0.000   1.000       0.000

   2 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.500
   0.000  -1.000   0.000       0.000
   0.000   0.000   1.000       0.500

   3 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.000
   0.000   1.000   0.000       0.500
   0.000   0.000  -1.000       0.500

   4 symmetry matrix (2-fold rotation) and translation vector:
   1.000   0.000   0.000       0.500
   0.000  -1.000   0.000       0.500
   0.000   0.000  -1.000       0.000

 Asymmetric unit limits       1  /  1       1  /  1       1  /  4


 Data line --  CELL 34.0150 34.3880 43.6350 90.0000 90.0000 90.0000
 Data line --  RESOLUTION 21.818 0.95
 Data line --  MIRBUILD ATOMS 499 MODELS 1

 This Data Card is not understood:

 MIRBUILD ATOMS 499 MODELS 1

 Missing keyword RESN

 Expected format:

 MIRBUILD ATOMS number MODELS number RESNUM WAT/DUM

 ***** ERROR *****


Could you recommend me what to do in this case?

Sincerely,

Natalia Moiseeva