diff --git a/ariaec/conf/aria_ec.ini b/ariaec/conf/aria_ec.ini index 113397bc1f96ba881ec88690482f2117e122a4b2..0b05166d9627e80cfdf297788c2603a1fb3c696a 100644 --- a/ariaec/conf/aria_ec.ini +++ b/ariaec/conf/aria_ec.ini @@ -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 --------------------------- # diff --git a/ariaec/templates/aria_project.xml b/ariaec/templates/aria_project.xml index 6d0906b19f43638c84102635a20bfa5f93e020e1..9ec88a1c5df1f879199c6c41447decdeee491338 100644 --- a/ariaec/templates/aria_project.xml +++ b/ariaec/templates/aria_project.xml @@ -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>