[phenixbb] symmetry rejected as inconsistent by model_vs_data
wtempel at gmail.com
Tue Mar 29 14:02:23 PDT 2016
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?
On Tue, Mar 29, 2016 at 4:43 PM, Dorothee Liebschner <dcliebschner at lbl.gov>
> 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,
> On Tue, Mar 29, 2016 at 12:47 PM, wtempel <wtempel at gmail.com> wrote:
>> 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
>> Can I force phenix.model_vs_data to omit this isomorphism check and “run”
>> with the reflection dimensions?
>> Thank you.
>> phenixbb mailing list
>> phenixbb at phenix-online.org
>> Unsubscribe: phenixbb-leave at phenix-online.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb