increased heuristic distance cutoff

bjornwallner · Aug 27, 2024 · 558ff9e · 558ff9e
1 parent aef227f
commit 558ff9e
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/DockQ/operations.pyx b/src/DockQ/operations.pyx
@@ -27,9 +27,9 @@ def residue_distances(float [:,:] atom_coordinates1, float [:,:] atom_coordinate
                     this_d = (atom_coordinates1[x][0] - atom_coordinates2[y][0])**2 + (atom_coordinates1[x][1] - atom_coordinates2[y][1])**2 + (atom_coordinates1[x][2] - atom_coordinates2[y][2])**2
                     if this_d < min_d:
                         min_d = this_d
-                        if min_d > 400.0:
+                        if min_d > 1000.0:
                             break
-                if min_d > 400.0:
+                if min_d > 1000.0:
                     break
             res_distances[i, j] = min_d
             cum_j_atoms = cum_j_atoms + j_atoms