[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ccp4bb]: ARP crash

***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

>     I have been trying to use ARP/warpNtrace on a MR solution with data to
>
> 2.0 angstroms. My spacegroup is P3(2) (#145).
>
> The job keeps failing with the following message at the end of the
> warpntrace_refine.log:
>
>  Titles :
>            Sigmaa style 2mfo-Dfc map calculated with refmac coefficients
>
>  MAPIN1
>  Map grid (X,Y,Z)  90  90 126
>  Map limits X   0  90                         Recommended   0  90
>  Map limits Y   0  90                         Recommended   0  90
>  Map limits Z   0  41 <== This is incorrect   Recommended   0  42
>
>  ***** ERROR *****
>
> I don't set the limits for the map, so I have no idea how to correct the
> problem. Has anyone encountered this problem before and how can it be
> corrected??

I think this is a well documented bug of arp/warp ;-)

The automated scripts set the map limits for trigonal sg's
to be
    0 1 0 1 0.3333333

If this 0.33333 happens to exclude the last section (ie section 42) arp
later complains.

Fix:
Edit warp.par and substitute 0.333333 with 0.34

        Tassos