From 72674c8c54d36e3669a8685801f1a35770b6f247 Mon Sep 17 00:00:00 2001 From: fabrice <fabrice.allain@pasteur.fr> Date: Tue, 8 Mar 2016 16:26:04 +0100 Subject: [PATCH] Add new section in ariaec.ini setup --- ariaec/conf/aria_ec.ini | 8 +++++--- ariaec/templates/aria_project.xml | 4 ++-- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/ariaec/conf/aria_ec.ini b/ariaec/conf/aria_ec.ini index 113397b..0b05166 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 6d0906b..9ec88a1 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> -- GitLab