Reduce the expertise level for ligands

haddocking · Sep 13, 2024 · 699eb56 · 699eb56
1 parent ffa0fe0
commit 699eb56
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Showing 6 changed files with 12 additions and 12 deletions.
diff --git a/src/haddock/modules/refinement/emref/defaults.yaml b/src/haddock/modules/refinement/emref/defaults.yaml
@@ -1287,7 +1287,7 @@ ligand_param_fname:
   long: Ligand parameter file in CNS format containing all force field parameters 
     (bond, angles, dihedrals, impropers, van der waals) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 ligand_top_fname:
   default: ''
   type: file
@@ -1296,7 +1296,7 @@ ligand_top_fname:
   long: Ligand topology file in CNS format containing the ligand topologies 
     (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 elecflag:
   default: true
   type: boolean

diff --git a/src/haddock/modules/refinement/flexref/defaults.yaml b/src/haddock/modules/refinement/flexref/defaults.yaml
@@ -1624,7 +1624,7 @@ ligand_param_fname:
   long: Ligand parameter file in CNS format containing all force field parameters 
     (bond, angles, dihedrals, impropers, van der waals) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 ligand_top_fname:
   default: ''
   type: file
@@ -1633,7 +1633,7 @@ ligand_top_fname:
   long: Ligand topology file in CNS format containing the ligand topologies 
     (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 elecflag:
   default: true
   type: boolean

diff --git a/src/haddock/modules/refinement/mdref/defaults.yaml b/src/haddock/modules/refinement/mdref/defaults.yaml
@@ -1326,7 +1326,7 @@ ligand_param_fname:
   long: Ligand parameter file in CNS format containing all force field parameters 
     (bond, angles, dihedrals, impropers, van der waals) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 ligand_top_fname:
   default: ''
   type: file
@@ -1335,7 +1335,7 @@ ligand_top_fname:
   long: Ligand topology file in CNS format containing the ligand topologies 
     (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 elecflag:
   default: true
   type: boolean

diff --git a/src/haddock/modules/scoring/emscoring/defaults.yaml b/src/haddock/modules/scoring/emscoring/defaults.yaml
@@ -203,7 +203,7 @@ ligand_param_fname:
   long: Ligand parameter file in CNS format containing all force field parameters 
     (bond, angles, dihedrals, impropers, van der waals) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 ligand_top_fname:
   default: ''
   type: file
@@ -212,7 +212,7 @@ ligand_top_fname:
   long: Ligand topology file in CNS format containing the ligand topologies 
     (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 elecflag:
   default: true
   type: boolean

diff --git a/src/haddock/modules/scoring/mdscoring/defaults.yaml b/src/haddock/modules/scoring/mdscoring/defaults.yaml
@@ -276,7 +276,7 @@ ligand_param_fname:
   long: Ligand parameter file in CNS format containing all force field parameters 
     (bond, angles, dihedrals, impropers, van der waals) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 ligand_top_fname:
   default: ''
   type: file
@@ -285,7 +285,7 @@ ligand_top_fname:
   long: Ligand topology file in CNS format containing the ligand topologies 
     (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK
   group: 'force field'
-  explevel: expert
+  explevel: easy
 elecflag:
   default: true
   type: boolean

diff --git a/src/haddock/modules/topology/topoaa/defaults.yaml b/src/haddock/modules/topology/topoaa/defaults.yaml
@@ -54,7 +54,7 @@ ligand_param_fname:
   long: Ligand parameter file in CNS format containing all force field parameters
     (bond, angles, dihedrals, impropers, van der waals) for any ligand not supported by default by HADDOCK
   group: force field
-  explevel: expert
+  explevel: easy
 ligand_top_fname:
   default: ''
   type: file
@@ -63,7 +63,7 @@ ligand_top_fname:
   long: Ligand topology file in CNS format containing the ligand topologies
     (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK
   group: force field
-  explevel: expert
+  explevel: easy
 limit:
   default: true
   type: boolean