Commit 923cf827 authored by Fabrice  ALLAIN's avatar Fabrice ALLAIN
Browse files

Changed defaults options in config file

parent 0949374c
......@@ -145,7 +145,7 @@ logharmonic_potential_use_auto_weight: no
logharmonic_potential_weight_unambig: 25.0
logharmonic_potential_weight_ambig: 10.0
logharmonic_potential_weight_hbond: 25.0
rama_potential_enabled: no
rama_potential_enabled: yes
hbdb_potential_enabled: no
scoring_method: standard
md_parameters_random_seed: 89764443
......
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......@@ -30,6 +30,7 @@ class SsList(object):
r'\s+(?P<up_residue>[AC-IK-NP-TVWYZ])'
r'\s+(?P<ss_pred>[HEC])'
r'\s+(?P<ss_conf>\d?)')
psipred2_reg = re.compile(r'^(?P<ss_pred>[HEC]+)')
indxplus_reg = re.compile(
r'^(?P<up_index>\d+)\s+(?P<up_residue>[AC-IK-NP-TVWYZ])\s+'
r'(?P<ss_pred>[CEH])\s+(?P<ss_conf>\d)\s+(?P<msa_index>[\d\-]+)\s+'
......@@ -97,12 +98,17 @@ class SsList(object):
def read_psipred(self, filename):
"""
:param filename:
:return:
Parameters
----------
filename
Returns
-------
"""
self.ssdict = reg_load(self.psipred_reg, filename)
# TODO: supprimer psipred_list dans les futures implementations
ss_index_dict = {'H': 1, 'C': 1, 'E': 1}
for line_id in sorted(self.ssdict.keys()):
# Modif champ ss_pred
......
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