diff --git a/rf2aa/data/data_loader_utils.py b/rf2aa/data/data_loader_utils.py index bd66579..0b3c38a 100644 --- a/rf2aa/data/data_loader_utils.py +++ b/rf2aa/data/data_loader_utils.py @@ -455,7 +455,7 @@ def merge_a3m_homo(msa_orig, ins_orig, nmer, mode="default"): ins[N:, start:start+L] = ins_orig[1:] start += L - return msa, ins + return {"msa": msa, "ins": ins} def merge_msas(a3m_list, L_s): """ diff --git a/rf2aa/data/merge_inputs.py b/rf2aa/data/merge_inputs.py index bf12ff8..7917fa1 100644 --- a/rf2aa/data/merge_inputs.py +++ b/rf2aa/data/merge_inputs.py @@ -43,8 +43,8 @@ def merge_protein_inputs(protein_inputs, deterministic: bool = False): if len(unique_a3m) >1: a3m_out = unique_a3m[0] - for i in range(1, len(unique_a3m)): - a3m_out = join_msas_by_taxid(a3m_out, a3m_list[i]) + for unq_a3m in unique_a3m[1:]: + a3m_out = join_msas_by_taxid(a3m_out, unq_a3m) a3m_out = expand_multi_msa(a3m_out, unique_hashes, hash_list, unique_lengths_list, lengths_list) else: a3m = unique_a3m[0]