[phenixbb] symmetry rejected as inconsistent by model_vs_data

[Dorothee Liebschner]

Hi Wolfram,

Yes, this is correct. The machinery used to read in the files uses
is_similar_symmetry to check for symmetry mismatch.
As it is on a deeper level than model_vs_data, there is no keyword to
override this, unfortunately.

In your example, did you try to edit your pdb file so that the unit cell
dimensions match exactly?

Best wishes,

Dorothee

On Tue, Mar 29, 2016 at 12:47 PM, wtempel <wtempel at gmail.com> wrote:

> Hello,
> phenix.model_vs_data_1.10.1-2155,
> along with printing to stderr:
> Sorry: Crystal symmetry mismatch between different files.
>
> prints these, and only these, lines to stdout:
>
>
> x251682_scaled3.mtz (36.692, 53.798, 108.063, 90, 84.258, 90) P 1 21 1
> readySet.pdb (36.69, 53.8, 108.06, 90, 84.26, 90) P 1 21 1
>
>
> Is this related to this code
> <http://cci.lbl.gov/cctbx_docs/cctbx/cctbx.crystal.html#cctbx.crystal.symmetry.is_similar_symmetry>
> ?
> Can I force phenix.model_vs_data to omit this isomorphism check and “run”
> with the reflection dimensions?
> Thank you.
> Wolfram
> ​
>
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