oops

lucidrains · Sep 28, 2024 · 1ed4cd8 · 1ed4cd8
1 parent 1532469
commit 1ed4cd8
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/alphafold3_pytorch/alphafold3.py b/alphafold3_pytorch/alphafold3.py
@@ -5811,7 +5811,7 @@ def _inhouse_compute_unresolved_rasa(
 
         # overall logic
 
-        atom_rel_pos = einx.subtract('i c, j c -> i j c', structure_atom_pos, structure_atom_pos)
+        atom_rel_pos = einx.subtract('j c, i c -> i j c', structure_atom_pos, structure_atom_pos)
 
         surface_dots = einx.multiply('m, sd c -> m sd c', atom_radii + water_radii, unit_surface_dots)