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Fix: stop dropping nucleic acid residues in partial diffusion (#281)

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* stop dropping nucleic acid residues in partial diffusion

* stop dropping nucleic acids in partial diffusion rfd3na

* ruff format

* Update input_parsing.py ruff format
This commit is contained in:
Raktim Mitra
2026-05-23 05:25:13 -07:00
committed by GitHub
parent cee116dc55
commit 07e9ace471
2 changed files with 6 additions and 2 deletions
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4
models/rfd3/src/rfd3/inference/input_parsing.py
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@@ -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

4
models/rfd3na/src/rfd3na/inference/input_parsing.py
View File

@@ -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