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diffdock

Runtime error

Simon Duerr commited on Oct 12, 2022

Commit

c1d7a42

1 Parent(s): 0fc2f31

fix: surface

Files changed (1) hide show

app.py CHANGED Viewed

@@ -156,7 +156,7 @@ def molecule(input_pdb, ligand_pdb, original_ligand):
     </head>
     <body>
      <button id="startanimation">Replay diffusion process</button>
-     <button id="Toggle surface">Toggle surface representation</button>
      <div>
      <span class="green"></span> Uploaded ligand position
      <span class="magenta"></span> Predicted ligand position
@@ -200,12 +200,12 @@ def molecule(input_pdb, ligand_pdb, original_ligand):
                 viewer.animate({loop: "forward",reps: 1});
               });
               $("#togglesurface").click(function() {
-                if (surface!=true){
-                    surf = viewer.addSurface(py3Dmol.VDW,{"opacity":0.9,"color":"white"});
                     surface = true;
-                }else{
-                    removeSurface(surf)
-                    surface = false;
                 }
               });
         </script>

     </head>
     <body>
      <button id="startanimation">Replay diffusion process</button>
+     <button id="togglesurface">Toggle surface representation</button>
      <div>
      <span class="green"></span> Uploaded ligand position
      <span class="magenta"></span> Predicted ligand position
                 viewer.animate({loop: "forward",reps: 1});
               });
               $("#togglesurface").click(function() {
+               if (surface != true) {
+                    surf = viewer.addSurface($3Dmol.SurfaceType.VDW, { "opacity": 0.9, "color": "white" }, { model: 0 });
                     surface = true;
+                } else {
+                    viewer.removeAllSurfaces()
+                    surface = false;
                 }
               });
         </script>