Merge pull request #719 from xchem/boriskovar-m2ms-patch-1

Update day-1-job-override.json

Author: boriskovar-m2ms

viewer/squonk/day-1-job-override.json

@@ -16,20 +16,20 @@
             "format": "chemical/x-mdl-molfile",
             "items": {
               "from": {
-      				  "side": "lhs",
-      				  "file" : "ligand_mol"
-      			  },
+				  "side": "lhs",
+				  "file" : "ligand_mol"
+			  },
               "enum": "{inputs_dir}/{item}",
               "enumNames": "{item}"
             }
           },
           "protein": {
             "type": "string",
             "format": "chemical/x-pdb",
-            "from": {
-              "side": "lhs",
-              "file" : "apo_desolv_file"
-            },
+		    "from": {
+			    "side": "lhs",
+			    "file" : "apo_desolv_file"
+		    },
             "enum": "{inputs_dir}/{item}",
             "enumNames": "{item}"
           }
@@ -80,16 +80,22 @@
             "uniqueItems": true,
             "format": "chemical/x-mdl-molfile",
             "items": {
-              "from": "lhs",
-              "enum": "{inputs_dir}/{target}-{item}.mol",
+              "from": {
+				  "side": "lhs",
+				  "file" : "ligand_mol"
+			  },
+              "enum": "{inputs_dir}/{item}",
               "enumNames": "{item}"
             }
           },
           "protein": {
             "type": "string",
             "format": "chemical/x-pdb",
-            "from": "lhs",
-            "enum": "{inputs_dir}/{target}-{item}_apo-desolv.pdb",
+		    "from": {
+			    "side": "lhs",
+			    "file" : "apo_desolv_file"
+		    },
+            "enum": "{inputs_dir}/{item}",
             "enumNames": "{item}"
           }
         },
@@ -139,16 +145,22 @@
             "uniqueItems": true,
             "format": "chemical/x-mdl-molfile",
             "items": {
-              "from": "lhs",
-              "enum": "{inputs_dir}/{target}-{item}.mol",
+              "from": {
+				  "side": "lhs",
+				  "file" : "ligand_mol"
+			  },
+              "enum": "{inputs_dir}/{item}",
               "enumNames": "{item}"
             }
           },
           "protein": {
             "type": "string",
             "format": "chemical/x-pdb",
-            "from": "lhs",
-            "enum": "{inputs_dir}/{target}-{item}_apo-desolv.pdb",
+		    "from": {
+			    "side": "lhs",
+			    "file" : "apo_desolv_file"
+		    },
+            "enum": "{inputs_dir}/{item}",
             "enumNames": "{item}"
           }
         },