Commit 72674c8c authored by fabrice's avatar fabrice
Browse files

Add new section in ariaec.ini setup

parent 1cf6e97f
......@@ -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 --------------------------- #
......
......@@ -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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