[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
> 
> 
> 
> 
> 
> _______________________________________________
> sharp-discuss mailing list
> sharp-discuss@globalphasing.com
> http://www.globalphasing.com/mailman/listinfo/sharp-discuss

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