Hi guys,
We are using phenix version 1.15.2-3472. We have executed molprobity using the command line:
phenix.python_1.15.2-3472
/usr/local/phenix-1.15.2-3472/modules/cctbx_project/mmtbx/command_line/molprobity.py "path_to_pdb"/refmac-refined.pdb pickle=True
nproc=4
We have also executed validation_cryoem (here we have used both the GUI and the command line and both interfaces return the same result)
phenix.python_1.15.2-3472
./phenix/phenix/command_line/validation_cryoem.py
"path_to_pdb"/refmac-refined.pdb "path_to_map"/molprobity.mrc
resolution=3.2 pickle=True
What we do not fully understand is why the two commands return different results for molprobity. Are the default parameters different?
For example, validation_cryoem reports as number of outliers "34" in the molprobity tab (model.geometry.angle.outliers) while molprobity reports 21
The test files are available at:
Thanks for the help