[sharp-discuss] ARP/wARP 6.0 running error
Clemens Vonrhein
vonrhein@globalphasing.com
Thu, 26 Sep 2002 12:00:49 +0100
Dear Natalia,
the latest ARP/wARP is not fully supported by the current Sushi
version (3.0.9). I just finished upgrading the interface between SHARP
and the latest ARP/wARP (works very nicely). So I expect a new Sushi
release within the next few days.
In the meantime: if you still have ARP/wARP 5.1 installed please
configure SHARP to use this (using the $BDG_home/adm/bin/arpwarp-setup
script). Or use the new ARP/wARP through the CCP4i interface ...
Cheers
Clemens
On Wed, Sep 25, 2002 at 08:33:09PM -0700, natalia moiseeva wrote:
> 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
>
>
>
>
>
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> sharp-discuss@globalphasing.com
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*
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