[phenixbb] symmetry rejected as inconsistent by model_vs_data

Pavel Afonine pafonine at lbl.gov
Tue Mar 29 22:31:19 PDT 2016


Hi Wolfram,

I just made up PDB and MTZ files that have unit cell dimensions 
precisely as you quoted below, and phenix.model_vs_data runs fine with 
these files.

I vaguely remember that someone brought this problem before (after 
1.10.1-2155) and I addressed it. So my suggestion is to use latest 
nightly build and hopefully the problem goes away. Please let us know 
otherwise.

Pavel

On 3/29/16 12:47, 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.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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