Activity
CCTBX vs DiSCaMB packed gradients, IAM, with finite differences.
CCTBX vs DiSCaMB packed gradients, IAM, with finite differences.
mmCIF compliance: reduce/Optimizers.py
mmCIF compliance: reduce/Optimizers.py
Fix setting defaults for process_predicted_model
Fix setting defaults for process_predicted_model
Update help for process_predicted_model
Update help for process_predicted_model
Move defaults for process_predicted_model to runtime, choosing based …
Move defaults for process_predicted_model to runtime, choosing based …
Add .cif format model for em_placement tests.
Add .cif format model for em_placement tests.
Masking the problem for now, downstream ready_set probably won't be a…
Masking the problem for now, downstream ready_set probably won't be a…
wxtbx: ensure arguments are int for wx.Size
wxtbx: ensure arguments are int for wx.Size
mmcif compat - remove deprecated function
mmcif compat - remove deprecated function
mmcif compat - updated altloc identification
mmcif compat - updated altloc identification
Better search query, accounting for chemicals in polypeptide chain al…
Better search query, accounting for chemicals in polypeptide chain al…
added ramalyze test for twisted proline
added ramalyze test for twisted proline
Fix process_predicted_model to write out full-length models if mark_a…
Fix process_predicted_model to write out full-length models if mark_a…
Update args for tst_process_predicted_model_cif.py
Update args for tst_process_predicted_model_cif.py
Prepare branch for DIALS 3.24 release
Prepare branch for DIALS 3.24 release
Allow use of mark_atoms_to_keep_with_occ_one in command-line process_…
Allow use of mark_atoms_to_keep_with_occ_one in command-line process_…
twisted Pro near cis now evaluated as cis
twisted Pro near cis now evaluated as cis
Update defaults for process_predicted model to work better for using …
Update defaults for process_predicted model to work better for using …