Update

.ipynb_checkpoints/app-checkpoint.py

@@ -265,11 +265,12 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
     high_score_script = ""
     if residue_scores is not None:
         # Filter residues based on their scores
-        class1_score_residues = [resi for resi, score in residue_scores if 0.5 < score <= 0.6]
-        class2_score_residues = [resi for resi, score in residue_scores if 0.6 < score <= 0.7]
-        class3_score_residues = [resi for resi, score in residue_scores if 0.7 < score <= 0.8]
-        class4_score_residues = [resi for resi, score in residue_scores if 0.8 < score <= 0.9]
-        class5_score_residues = [resi for resi, score in residue_scores if 0.9 < score <= 1.0]
+        class1_score_residues = [resi for resi, score in residue_scores if 0.0 < score <= 0.2]
+        class2_score_residues = [resi for resi, score in residue_scores if 0.2 < score <= 0.4]
+        class3_score_residues = [resi for resi, score in residue_scores if 0.4 < score <= 0.6]
+        class4_score_residues = [resi for resi, score in residue_scores if 0.6 < score <= 0.8]
+        class5_score_residues = [resi for resi, score in residue_scores if 0.8 < score <= 1.0]
+        
         
         high_score_script = """
         // Load the original model and apply white cartoon style
@@ -285,7 +286,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class1Model.setStyle({}, {});
         class1Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "blue"}}
+            {"stick": {"color": "0xFFFFFF", "opacity": 0.5}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -293,7 +294,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class2Model.setStyle({}, {});
         class2Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "lightblue"}}
+            {"stick": {"color": "0xFFD580", "opacity": 0.5}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -301,7 +302,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class3Model.setStyle({}, {});
         class3Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "white"}}
+            {"stick": {"color": "0xFFA500", "opacity": 1}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -309,7 +310,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class4Model.setStyle({}, {});
         class4Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "orange"}}
+            {"stick": {"color": "0xFF4500", "opacity": 1}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -317,7 +318,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class5Model.setStyle({}, {});
         class5Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "red"}}
+            {"stick": {"color": "0xFF0000", "alpha": 1}}
         );
 
         """ % (

app.py

@@ -265,11 +265,12 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
     high_score_script = ""
     if residue_scores is not None:
         # Filter residues based on their scores
-        class1_score_residues = [resi for resi, score in residue_scores if 0.5 < score <= 0.6]
-        class2_score_residues = [resi for resi, score in residue_scores if 0.6 < score <= 0.7]
-        class3_score_residues = [resi for resi, score in residue_scores if 0.7 < score <= 0.8]
-        class4_score_residues = [resi for resi, score in residue_scores if 0.8 < score <= 0.9]
-        class5_score_residues = [resi for resi, score in residue_scores if 0.9 < score <= 1.0]
+        class1_score_residues = [resi for resi, score in residue_scores if 0.0 < score <= 0.2]
+        class2_score_residues = [resi for resi, score in residue_scores if 0.2 < score <= 0.4]
+        class3_score_residues = [resi for resi, score in residue_scores if 0.4 < score <= 0.6]
+        class4_score_residues = [resi for resi, score in residue_scores if 0.6 < score <= 0.8]
+        class5_score_residues = [resi for resi, score in residue_scores if 0.8 < score <= 1.0]
+        
         
         high_score_script = """
         // Load the original model and apply white cartoon style
@@ -285,7 +286,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class1Model.setStyle({}, {});
         class1Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "blue"}}
+            {"stick": {"color": "0xFFFFFF", "opacity": 0.5}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -293,7 +294,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class2Model.setStyle({}, {});
         class2Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "lightblue"}}
+            {"stick": {"color": "0xFFD580", "opacity": 0.5}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -301,7 +302,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class3Model.setStyle({}, {});
         class3Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "white"}}
+            {"stick": {"color": "0xFFA500", "opacity": 1}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -309,7 +310,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class4Model.setStyle({}, {});
         class4Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "orange"}}
+            {"stick": {"color": "0xFF4500", "opacity": 1}}
         );
 
         // Create a new model for high-scoring residues and apply red sticks style
@@ -317,7 +318,7 @@ def molecule(input_pdb, residue_scores=None, segment='A'):
         class5Model.setStyle({}, {});
         class5Model.setStyle(
             {"chain": "%s", "resi": [%s]}, 
-            {"stick": {"color": "red"}}
+            {"stick": {"color": "0xFF0000", "alpha": 1}}
         );
 
         """ % (