[sharp-discuss] ERROR: MAPVAL unable to map point into map
Clemens Vonrhein
vonrhein at globalphasing.com
Tue May 8 11:10:32 BST 2007
Dear Sonja,
this is an error with mapping points back into the asymmetric unit
... a bit unusual in P1 I guess.
Is it possible to get the input to that particular step (so I could do
some debugging)?
Cheers
Clemens
On Tue, May 08, 2007 at 11:08:30AM +0200, Sonja Kuhlmann wrote:
> Dear Sharp Users.
>
> I am running an 3 wavelength MAD auto-SHARP run on a P1 crystal.
> It stops during Finding sites (4.3), I traced the error to PKMAPS:
>
> The last lines say this:
> 1.00000 0.00000 0.00000 0.00000
> 0.00000 1.00000 0.00000 0.00000
> = X Y Z
> 0.00000 0.00000 1.00000 0.00000
> fixing atom no. 1
>
> ERROR: [MAPVAL] unable to map point into
> map :
> 0.2692308 0.8214286 0.6176471
>
> I would be happy about any suggestions.
>
> Sonja
>
> Sonja Kuhlmann
> Max-Planck-Institute of Biophysics
> Max-von-Laue-Str. 3
> D-60438 Frankfurt am Main
> Phone: +49 69 6303-3052
>
>
>
>
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> sharp-discuss at globalphasing.com
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