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Commit 559107c0 authored by Studer Gabriel's avatar Studer Gabriel
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get rid of the last traces of the evil RotamerSettings object

parent 9cd7abea
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...@@ -104,11 +104,11 @@ def _AddLigandFrameResidues(frame_residues, ent_lig, rotamer_constructor, offset ...@@ -104,11 +104,11 @@ def _AddLigandFrameResidues(frame_residues, ent_lig, rotamer_constructor, offset
# try to add frame residues (ignore exceptions) # try to add frame residues (ignore exceptions)
try: try:
fr1 = rotamer_constructor.ConstructBackboneFrameResidue(\ fr1 = rotamer_constructor.ConstructBackboneFrameResidue(\
res.handle, rot_id, res_idx, rotamer_settings, res.handle, rot_id, res_idx,
phi, n_ter, c_ter) phi, n_ter, c_ter)
if rot_id != sidechain.ALA and rot_id != sidechain.GLY: if rot_id != sidechain.ALA and rot_id != sidechain.GLY:
fr2 = rotamer_constructor.ConstructSidechainFrameResidue(\ fr2 = rotamer_constructor.ConstructSidechainFrameResidue(\
res.handle, rot_id, res_idx, rotamer_settings) res.handle, rot_id, res_idx)
frame_residues.extend([fr1,fr2]) frame_residues.extend([fr1,fr2])
else: else:
frame_residues.append(fr1) frame_residues.append(fr1)
...@@ -208,7 +208,6 @@ def _AddCysteinFrameResidues(frame_residues, incomplete_sidechains, ...@@ -208,7 +208,6 @@ def _AddCysteinFrameResidues(frame_residues, incomplete_sidechains,
def _GetRotamerGroup(res_handle, rot_id, res_idx, rot_lib, rot_constructor, def _GetRotamerGroup(res_handle, rot_id, res_idx, rot_lib, rot_constructor,
phi, psi, use_frm, bbdep): phi, psi, use_frm, bbdep):
'''Get RotamerGroup for res_handle according to settings.'''
if use_frm: if use_frm:
if bbdep: if bbdep:
return rot_constructor.ConstructFRMRotamerGroup(res_handle, rot_id, return rot_constructor.ConstructFRMRotamerGroup(res_handle, rot_id,
......
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