Re: [phenixbb] symmetry rejected as inconsistent by model_vs_data

Hello Dorothee, the "mismatch" flag did indeed lead me to edit the PDB's cell dimensions and model_vs_data runs. With which tolerance parameters does model_vs_data call is_similar_symmetry? Tighter than the defaults listed in the documentation? Regards, Wolfram On Tue, Mar 29, 2016 at 4:43 PM, Dorothee Liebschner wrote:

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 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.symmetr... ? 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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