diff --git a/models/rfd3/src/rfd3/metrics/design_metrics.py b/models/rfd3/src/rfd3/metrics/design_metrics.py index 5ac24fbc..833257ee 100644 --- a/models/rfd3/src/rfd3/metrics/design_metrics.py +++ b/models/rfd3/src/rfd3/metrics/design_metrics.py @@ -135,14 +135,13 @@ def get_all_backbone_metrics( ) if verbose: + if compute_non_clash_metrics_for_diffused_region_only: # Subset to diffused region only atom_array = atom_array[~atom_array.is_motif_atom_with_fixed_coord] - # ... Add additional metrics - o |= get_ss_metrics_and_rg( - atom_array[~atom_array.is_motif_atom_with_fixed_coord] - ) + # SS and Rg metrics + o |= get_ss_metrics_and_rg(atom_array) # Basic compositional statistics starts = get_token_starts(atom_array)