From 559107c00c13647cad697e79fd95e24a28b2bf1f Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 2 Nov 2016 11:20:46 +0100
Subject: [PATCH] get rid of the last traces of the evil RotamerSettings object

---
 sidechain/pymod/_reconstruct_sidechains.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/sidechain/pymod/_reconstruct_sidechains.py b/sidechain/pymod/_reconstruct_sidechains.py
index 3afeada1..7bc30c0b 100644
--- a/sidechain/pymod/_reconstruct_sidechains.py
+++ b/sidechain/pymod/_reconstruct_sidechains.py
@@ -104,11 +104,11 @@ def _AddLigandFrameResidues(frame_residues, ent_lig, rotamer_constructor, offset
                 # try to add frame residues (ignore exceptions)
                 try:
                     fr1 = rotamer_constructor.ConstructBackboneFrameResidue(\
-                              res.handle, rot_id, res_idx, rotamer_settings,
+                              res.handle, rot_id, res_idx,
                               phi, n_ter, c_ter)
                     if rot_id != sidechain.ALA and rot_id != sidechain.GLY:
                         fr2 = rotamer_constructor.ConstructSidechainFrameResidue(\
-                                  res.handle, rot_id, res_idx, rotamer_settings)
+                                  res.handle, rot_id, res_idx)
                         frame_residues.extend([fr1,fr2])
                     else:
                         frame_residues.append(fr1)
@@ -208,7 +208,6 @@ def _AddCysteinFrameResidues(frame_residues, incomplete_sidechains,
 
 def _GetRotamerGroup(res_handle, rot_id, res_idx, rot_lib, rot_constructor,
                      phi, psi, use_frm, bbdep):
-    '''Get RotamerGroup for res_handle according to settings.'''
     if use_frm:
         if bbdep:
             return rot_constructor.ConstructFRMRotamerGroup(res_handle, rot_id,
-- 
GitLab