cleanup

lucidrains · Sep 27, 2024 · 4a1885f · 4a1885f
1 parent be4b70c
commit 4a1885f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/alphafold3_pytorch/alphafold3.py b/alphafold3_pytorch/alphafold3.py
@@ -5766,7 +5766,7 @@ def _inhouse_compute_unresolved_rasa(
 
         surface_dots = radius * unit_surface_dots
 
-        dist_from_surface_dots_sq = (einx.subtract('i j c, sd c -> i sd j c') ** 2).sum(dim = -1)
+        dist_from_surface_dots_sq = einx.subtract('i j c, sd c -> i sd j c', atom_rel_pos, surface_dots).pow(2).sum(dim = -1)
 
         free = reduce(dist_from_surface_dots_sq > radius, 'i sd j -> i sd', 'all')