Update app.py

app.py

@@ -21,7 +21,7 @@ import moleculekit
 print(moleculekit.__version__)
 
 
-def update(inp, file, mode, custom_resids, clustering_threshold):
+def update(inp, file, mode, custom_resids, clustering_threshold, distance_cutoff):
     try:
         filepath = file.name
     except:
@@ -105,7 +105,7 @@ def update(inp, file, mode, custom_resids, clustering_threshold):
         grid,
         writeprobes=True,
         probefile=f"output/probes_{identifier}.pdb",
-        threshold=7,
+        threshold=distance_cutoff,
         p=clustering_threshold,
     )
 
@@ -359,7 +359,7 @@ with metal3d:
                     minimum=1,
                     maximum=10,
                     value=7,
-                    step=1,
+                    step=0.5,
                     label="Clustering distance cutoff",
                 )
         btn = gr.Button("Run")
@@ -389,7 +389,7 @@ with metal3d:
     mol = gr.HTML()
     btn.click(
         fn=update,
-        inputs=[inp, file, mode, custom_resids, clustering_threshold],
+        inputs=[inp, file, mode, custom_resids, clustering_threshold, distance_cutoff],
         outputs=[out, mol],
     )