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,
--
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