diff --git a/models/rfd3/src/rfd3/inference/input_parsing.py b/models/rfd3/src/rfd3/inference/input_parsing.py index f8b9021..5826de7 100644 --- a/models/rfd3/src/rfd3/inference/input_parsing.py +++ b/models/rfd3/src/rfd3/inference/input_parsing.py @@ -611,7 +611,9 @@ class DesignInputSpecification(BaseModel): ).astype(int) # ... Subset to residues only - atom_array_in = atom_array_in[atom_array_in.is_protein] + atom_array_in = atom_array_in[ + atom_array_in.is_protein | atom_array_in.is_dna | atom_array_in.is_rna + ] # ... Set chain ID for unindexed residues as whatever the input has start_resid = np.max(atom_array_in.res_id) + 1 diff --git a/models/rfd3na/src/rfd3na/inference/input_parsing.py b/models/rfd3na/src/rfd3na/inference/input_parsing.py index ad3deb9..aaa91f0 100644 --- a/models/rfd3na/src/rfd3na/inference/input_parsing.py +++ b/models/rfd3na/src/rfd3na/inference/input_parsing.py @@ -640,7 +640,9 @@ class DesignInputSpecification(BaseModel): ).astype(int) # ... Subset to residues only - atom_array_in = atom_array_in[atom_array_in.is_protein] + atom_array_in = atom_array_in[ + atom_array_in.is_protein | atom_array_in.is_dna | atom_array_in.is_rna + ] # ... Set chain ID for unindexed residues as whatever the input has start_resid = np.max(atom_array_in.res_id) + 1