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bis-aria
ariaec
Commits
cab261fc
Commit
cab261fc
authored
Jun 24, 2016
by
Fabrice Allain
Browse files
Addign sigma mode parameter in aria project templates
parent
1452fe8f
Changes
6
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ariaec/commands.pyc
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cab261fc
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ariaec/conf/aria_ec.ini
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cab261fc
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@@ -151,6 +151,7 @@ calib_estimator: ratio_of_averages
calib_error_estimator:
distance
viol_violation_tolerance:
1000.0,5.0,3.0,1.0,1.0,1.0,0.1,0.1,0.1
viol_violation_threshold:
0.5
viol_sigma_mode:
fix
partassign_weight_threshold:
1.0,0.9999,0.999,0.99,0.98,0.96,0.93,0.9,0.8
partassign_max_contributions:
1000
partassign_exponent:
6
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ariaec/econverter.pyc
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cab261fc
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ariaec/protein.pyc
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cab261fc
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ariaec/templates/aria_project_v2.3.0.xml
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cab261fc
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@@ -46,7 +46,7 @@
<assignment/>
<merging
method=
"${merging_method}"
/>
<calibration
relaxation_matrix=
"${calib_relaxation_matrix}"
distance_cutoff=
"${calib_distance_cutoff}"
estimator=
"${calib_estimator}"
error_estimator=
"${calib_error_estimator}"
/>
<violation_analysis
violation_tolerance=
"${viol_violation_tolerance[iter]}"
violation_threshold=
"${viol_violation_threshold}"
/>
<violation_analysis
violation_tolerance=
"${viol_violation_tolerance[iter]}"
violation_threshold=
"${viol_violation_threshold}"
sigma_mode=
"${viol_sigma_mode}"
/>
<partial_assignment
weight_threshold=
"${partassign_weight_threshold[iter]}"
max_contributions=
"${partassign_max_contributions}"
/>
<network_anchoring
high_residue_threshold=
"${netanch_high_residue_threshold}"
enabled=
"${netanch_enabled}"
min_residue_threshold=
"${netanch_min_residue_threshold}"
min_atom_threshold=
"${netanch_min_atom_threshold}"
/>
</iteration>
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ariaec/templates/aria_project_v2.3.2.xml
View file @
cab261fc
...
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@@ -47,7 +47,7 @@
<assignment/>
<merging
method=
"${merging_method}"
/>
<calibration
relaxation_matrix=
"${calib_relaxation_matrix}"
distance_cutoff=
"${calib_distance_cutoff}"
estimator=
"${calib_estimator}"
error_estimator=
"${calib_error_estimator}"
/>
<violation_analysis
violation_tolerance=
"${viol_violation_tolerance[iter]}"
violation_threshold=
"${viol_violation_threshold}"
/>
<violation_analysis
violation_tolerance=
"${viol_violation_tolerance[iter]}"
violation_threshold=
"${viol_violation_threshold}"
sigma_mode=
"${viol_sigma_mode}"
/>
<partial_assignment
weight_threshold=
"${partassign_weight_threshold[iter]}"
max_contributions=
"${partassign_max_contributions}"
exponent=
"${partassign_exponent}"
/>
<network_anchoring
high_residue_threshold=
"${netanch_high_residue_threshold}"
enabled=
"${netanch_enabled}"
min_residue_threshold=
"${netanch_min_residue_threshold}"
min_atom_threshold=
"${netanch_min_atom_threshold}"
/>
</iteration>
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