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Commit 65bfab97 authored by Studer Gabriel's avatar Studer Gabriel
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remove experimental feature

We decided to only implement a very basic pipeline as default.
parent ed35d13f
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...@@ -403,8 +403,7 @@ def CheckFinalModel(mhandle): ...@@ -403,8 +403,7 @@ def CheckFinalModel(mhandle):
ost.LogInfo("Stereo-chemical problem in sidechain " + \ ost.LogInfo("Stereo-chemical problem in sidechain " + \
"of residue " + str(res)) "of residue " + str(res))
def BuildFromRawModel(mhandle, alternative_mhandles=None, def BuildFromRawModel(mhandle, use_amber_ff=False, extra_force_fields=list()):
use_amber_ff=False, extra_force_fields=list()):
'''Build a model starting with a raw model (see :func:`BuildRawModel`). '''Build a model starting with a raw model (see :func:`BuildRawModel`).
This function implements a recommended pipeline to generate complete models This function implements a recommended pipeline to generate complete models
...@@ -459,19 +458,6 @@ def BuildFromRawModel(mhandle, alternative_mhandles=None, ...@@ -459,19 +458,6 @@ def BuildFromRawModel(mhandle, alternative_mhandles=None,
torsion_sampler = loop.LoadTorsionSamplerCoil() torsion_sampler = loop.LoadTorsionSamplerCoil()
merge_distance = 4 merge_distance = 4
# try to extend terminal coverage using alternative rawmodels
if alternative_mhandles != None:
# iterate extensions until nothing happens anymore
current_num_residues = mhandle.model.GetResidueCount()
new_num_residues = None
while current_num_residues != new_num_residues:
current_num_residues = mhandle.model.GetResidueCount()
ModelExtensions(mhandle, alternative_mhandles,
extension_strategy="overlapping")
ModelExtensions(mhandle, alternative_mhandles,
extension_strategy="non-overlapping")
new_num_residues = mhandle.model.GetResidueCount()
# remove terminal gaps # remove terminal gaps
RemoveTerminalGaps(mhandle) RemoveTerminalGaps(mhandle)
......
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