[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