升级 NUPACK 4.1 并支持混合材料设计

rna/调用RNAplot的代码.txt

@@ -1,46 +1,46 @@
-from nupack import *
-import subprocess
-import os
-
-def huatu(Complex,result):#Complex是你想查看的复合物，eg: '(StrandA+StrandB)' 引号和括号都要有; 
-                          #result是nupack计算（tube_analysis）的结果，eg: nupack指南里用过my_result、my_results和tube_results等, 或者你自己有其他命名
-    def jiegou(Complex,result):
-        m=str(result[Complex].mfe[0].structure)
-        mm=""
-        for i in m:
-            if i != "+":
-                mm=mm+i
-            if i=="":
-                continue
-        return mm
-    def xulie(Complex):
-        inp=''
-        for i in Complex:
-            if i != '(' and i != ')':
-                inp=inp+i
-            else:
-                continue
-        l=inp.split('+',-1)
-        xulie=''
-        for i in l:
-            xulie=xulie+str(eval(i))
-        return xulie
-    sequence=xulie(Complex)
-    best_structure=jiegou(Complex,result)
-    seq_name =Complex
-    output_folder="/home/liusiye/桌面/nupack-4.0.2.0"#指定图片保存在哪个文件夹，需自己更改
-    temp_file_path = os.path.join(output_folder, f"{seq_name}.seq")
-    with open(temp_file_path, "w", newline='\n') as f:
-        f.write(f">{seq_name}\n")
-        f.write(f"{sequence}\n")
-        f.write(f"{best_structure}\n")
-    try:
-        input_filename = f"{seq_name}.seq"
-        process = subprocess.run(["RNAplot", "--o", "svg", input_filename], cwd=output_folder, capture_output=True, text=True)
-        if process.returncode == 0:
-            print(f"🎉 绘图成功！请前往 {output_folder} 文件夹查看 {seq_name}_ss.svg")
-            os.remove(temp_file_path)
-        else:
-            print("❌ RNAplot 运行失败，报错信息：\n", process.stderr)
-    except FileNotFoundError:
+from nupack import *
+import subprocess
+import os
+
+def huatu(Complex,result):#Complex是你想查看的复合物，eg: '(StrandA+StrandB)' 引号和括号都要有;
+                          #result是nupack计算（tube_analysis）的结果，eg: nupack指南里用过my_result、my_results和tube_results等, 或者你自己有其他命名
+    def jiegou(Complex,result):
+        m=str(result[Complex].mfe[0].structure)
+        mm=""
+        for i in m:
+            if i != "+":
+                mm=mm+i
+            if i=="":
+                continue
+        return mm
+    def xulie(Complex):
+        inp=''
+        for i in Complex:
+            if i != '(' and i != ')':
+                inp=inp+i
+            else:
+                continue
+        l=inp.split('+',-1)
+        xulie=''
+        for i in l:
+            xulie=xulie+str(eval(i))
+        return xulie
+    sequence=xulie(Complex)
+    best_structure=jiegou(Complex,result)
+    seq_name =Complex
+    output_folder="/home/liusiye/桌面/nupack-4.1.0.1"#指定图片保存在哪个文件夹，需自己更改
+    temp_file_path = os.path.join(output_folder, f"{seq_name}.seq")
+    with open(temp_file_path, "w", newline='\n') as f:
+        f.write(f">{seq_name}\n")
+        f.write(f"{sequence}\n")
+        f.write(f"{best_structure}\n")
+    try:
+        input_filename = f"{seq_name}.seq"
+        process = subprocess.run(["RNAplot", "--o", "svg", input_filename], cwd=output_folder, capture_output=True, text=True)
+        if process.returncode == 0:
+            print(f"🎉 绘图成功！请前往 {output_folder} 文件夹查看 {seq_name}_ss.svg")
+            os.remove(temp_file_path)
+        else:
+            print("❌ RNAplot 运行失败，报错信息：\n", process.stderr)
+    except FileNotFoundError:
         print("❌ 找不到 RNAplot 命令，请确认环境变量。")