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.symmetr...? Can I force phenix.model_vs_data to omit this isomorphism check and “run” with the reflection dimensions? Thank you. Wolfram