From 4a1885fe9dddf24992338c11477bb04e8bec5765 Mon Sep 17 00:00:00 2001 From: lucidrains Date: Fri, 27 Sep 2024 10:01:47 -0700 Subject: [PATCH] cleanup --- alphafold3_pytorch/alphafold3.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/alphafold3_pytorch/alphafold3.py b/alphafold3_pytorch/alphafold3.py index f486eeec..da7652fd 100644 --- 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')