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bis-aria
ariaec
Commits
72674c8c
Commit
72674c8c
authored
Mar 08, 2016
by
fabrice
Browse files
Add new section in ariaec.ini setup
parent
1cf6e97f
Changes
2
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ariaec/conf/aria_ec.ini
View file @
72674c8c
...
...
@@ -118,9 +118,11 @@ water_refinement_solvent: water
water_refinement_n_structures:
10
water_refinement_enabled:
no
water_refinement_write_solvent_molecules:
no
procheck_executable:
procheck
prosa_executable:
prosa
whatif_executable:
whatif
procheck_executable:
prosa_executable:
whatif_executable:
clashlist_executable:
pickle_output:
no
[contactmap]
; -------------------------- Contactmap parameters --------------------------- #
...
...
ariaec/templates/aria_project.xml
View file @
72674c8c
...
...
@@ -120,12 +120,12 @@
<procheck
executable=
"%(procheck_executable)s"
enabled=
"yes"
/>
<prosa
executable=
"%(prosa_executable)s"
enabled=
"yes"
/>
<whatif
executable=
"%(whatif_executable)s"
enabled=
"yes"
/>
<clashlist
executable=
""
enabled=
"no"
/>
<clashlist
executable=
"
%(clashlist_executable)s
"
enabled=
"no"
/>
</analysis>
<report>
<ccpn
export_assignments=
"no"
export_noe_restraint_list=
"no"
export_structures=
"no"
/>
<molmol
enabled=
"yes"
/>
<noe_restraint_list
pickle_output=
"
no
"
text_output=
"yes"
xml_output=
"no"
/>
<noe_restraint_list
pickle_output=
"
%(pickle_output)s
"
text_output=
"yes"
xml_output=
"no"
/>
<spectra
write_assigned=
"no"
write_assigned_force=
"no"
iteration=
"last"
write_unambiguous_only=
"yes"
/>
</report>
</project>
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