Ignore the terminal residues in creating hydrogen bond restraints

loop_helix_loop_reshaping/build_loop_helix_loop_unit.py

@@ -56,7 +56,8 @@ def residue_direction_vector(pose, res):
 
 def find_bb_hbonds_involving_residues(pose, residues):
  '''Find backbone hbonds involving a given set of residues.
- An Hbond is defined as (donor_res, acceptor_res)
+ An Hbond is defined as (donor_res, acceptor_res).
+ Ignore the terminal residues.
  '''
  hbset = rosetta.core.scoring.hbonds.HBondSet(pose, bb_only=True)
  hbonds = []
@@ -65,6 +66,10 @@ def find_bb_hbonds_involving_residues(pose, residues):
  acc = hbset.hbond(i).acc_res()
  don = hbset.hbond(i).don_res()
 
+ # Ignore terminal residues
+ if acc in [1, pose.size()] or don in [1, pose.size()]:
+ continue
+
  if acc in residues or don in residues:
  hbonds.append((don, acc))