From bd57e106762c00aa6e6c7d8f35366c7ba6f7c6d6 Mon Sep 17 00:00:00 2001
From: Nuri Jung <jnooree@snu.ac.kr>
Date: Mon, 18 Mar 2024 16:31:48 +0900
Subject: [PATCH] fix(data): match input format in multimer prediction

Return as dictionary.

Closes baker-laboratory/RoseTTAFold-All-Atom#11 (supersedes).
Fixes baker-laboratory/RoseTTAFold-All-Atom#12.
---
 rf2aa/data/data_loader_utils.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

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):
     """