Skip MSA search when both custom_template and single_sequence provided

sokrypton · Apr 25, 2024 · 1653605 · 1653605
1 parent 9a5c316
commit 1653605
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/colabfold/batch.py b/colabfold/batch.py
@@ -751,6 +751,12 @@ def get_msa_and_templates(
     if use_templates:
         # Skip template search when custom_template_path is provided
         if custom_template_path is not None:
+            if msa_mode == "single_sequence":
+                a3m_lines = []
+                num = 101
+                for i, seq in enumerate(query_seqs_unique):
+                    a3m_lines.append(f">{num + i}\n{seq}")
+
             if a3m_lines is None:
                 a3m_lines_mmseqs2 = run_mmseqs2(
                     query_seqs_unique,