update

.gitignore

@@ -2,4 +2,6 @@ static/dna.html
 static/dna.pdb
 static/test.cif
 test.py
-*.ipynb
+*.ipynb
+__pycache__
+*.pyc

app.py

@@ -77,7 +77,7 @@ def render_html(view, entity_color_dict):
 
 
 def analyze_contacts(selected_str, cutoff, structure_cache):
-    keys = [k.strip() for k in selected_str.split(";") if k]
+    keys = selected_str
     if len(keys) < 2:
         debug_text = "<b style='color:red'>请至少选择两个实体进行分析</b>"
         return debug_text, debug_text
@@ -126,24 +126,19 @@ with gr.Blocks() as demo:
         file_input = gr.File(label="上传PDB文件", file_types=[".pdb"], scale=1)
         with gr.Column(scale=2):
             with gr.Row():
-                with gr.Column():
-                    entity_selector = gr.Dropdown(label="选择实体", choices=[], interactive=True)
-                    with gr.Row():
-                        add_btn = gr.Button("添加")
-                        del_btn = gr.Button("删除")
-                        clr_btn = gr.Button("清空")
-                   
-                with gr.Column():
-                    selected_display = gr.Textbox(label="已选择实体（以分号分隔）", interactive=True)
+                with gr.Column(scale=2):
+                    entity_selector = gr.Dropdown(choices=[], interactive=True, multiselect=True, label="选择实体")
+                    
+                with gr.Column(scale=1):
                     cutoff_slider = gr.Slider(1, 10, value=4.0, step=0.5, label="Cutoff 距离 (Å)")
-
             run_btn = gr.Button("分析并渲染")
 
+            
     debug_text = gr.Textbox(label="调试信息", interactive=False)
 
     run_btn.click(
         fn=analyze_contacts,
-        inputs=[selected_display, cutoff_slider, structure_cache],
+        inputs=[entity_selector, cutoff_slider, structure_cache],
         outputs=[output, debug_text]
     )
 
@@ -153,23 +148,6 @@ with gr.Blocks() as demo:
         outputs=[output, entity_selector, structure_cache]
     )
 
-    add_btn.click(
-        fn=update_selected,
-        inputs=[entity_selector, selected_display],
-        outputs=selected_display
-    )
-    
-    del_btn.click(
-        fn=delete_selected,
-        inputs=[entity_selector, selected_display],
-        outputs=selected_display
-    )
-
-    clr_btn.click(
-        fn=clear_selected,
-        inputs=[],
-        outputs=selected_display
-    )
 
     demo.load(
         fn=lambda: load_structure(default_file),

requirements.txt

@@ -1,5 +1,5 @@
 Bio==1.8.0
 biopython==1.85
-gradio==5.29.1
+gradio==5.30.0
 py3Dmol==2.4.2
 py3Dmol==2.4.2