在ununtu上使用该命令安装draw_rna
pip install matplotlib numpy draw_rna --upgrade -i https://pypi.tuna.tsinghua.edu.cn/simple

-------------------------------打开原本步骤中lab中的记事本--------------------------
# 依赖导入
from nupack import *
from draw_rna.ipynb_draw import draw_struct
import os
import matplotlib.pyplot as plt

# 开启显示（恢复正常绘图展示）
plt.ion()

# ======================================
# 仅保留两个核心函数，完全用 draw_rna
# ======================================
def get_mfe_structure(complex_name: str, nupack_result, strands: list):
    """获取复合物MFE结构，支持同源二聚体 Y1+Y1"""
    strand_names = complex_name.strip('()').split('+')
    strand_map = {s.name: s for s in strands}
    strand_objs = [strand_map[name] for name in strand_names]
    complex_obj = Complex(strand_objs)
    return str(nupack_result[complex_obj].mfe[0].structure)

def draw_complex(complex_name: str, nupack_result, strands: list, output_folder="./"):
    """draw_rna绘图：无页面显示，直接保存图片到目标路径"""
    os.makedirs(output_folder, exist_ok=True)

    # 获取结构和序列（完全不变）
    struct = get_mfe_structure(complex_name, nupack_result, strands)
    strand_names = complex_name.strip('()').split('+')
    strand_map = {s.name: s for s in strands}
    seq = " ".join([str(strand_map[name]) for name in strand_names])   # 序列用空格分隔
    draw_structure = struct.replace('+', ' ')                            # 结构用空格分隔
    # 设置全局字体大小，可以根据需要调整数字 (例如 14, 18, 20)
    plt.rcParams['font.size'] = 12
    # ---------- 修正点：显式创建画布并传递给 draw_struct ----------
    fig, ax = plt.subplots(figsize=(15, 15))   # 可调尺寸，保证图形清晰
    draw_struct(seq, draw_structure, ax=ax)   # 在指定 ax 上绘图

    # 保存并关闭
    save_name = complex_name.strip('()').replace('+', '_') + '.png'
    save_path = os.path.join(output_folder, save_name)
    plt.savefig(save_path, dpi=300, bbox_inches='tight')

    print(f"\n✅ 图片已保存至：{save_path}")
    print(f"MFE 结构：{struct}")
def draw_all_complexes(nupack_result, strands: list, output_folder="./"):
    print("\n========== 开始批量绘制所有复合物 ==========")
    
    # 过滤出 Complex 对象
    complex_objs = [obj for obj in nupack_result.keys() if not isinstance(obj, Tube)]
    total = len(complex_objs)
    success_count = 0
    
    for idx, complex_obj in enumerate(complex_objs, 1):
        complex_name = complex_obj.name   # ✅ 修正点
        try:
            draw_complex(complex_name, nupack_result, strands, output_folder)
            success_count += 1
            print(f"进度：{idx}/{total} 完成")
        except Exception as e:
            print(f"❌ 绘制复合物 {complex_name} 失败: {e}")
    
    print("\n========== 所有复合物绘制完成 ==========")
    print(f"✅ 批量绘制完成！成功：{success_count} / 总计：{total}")
    print(f"📁 图片保存在：{os.path.abspath(output_folder)}")
--------------------------------  nupack计算--------------------------------------

model1 = Model(material='dna', celsius=37,sodium=0.1, magnesium=0.02)
Y1 = Strand('CGTTAACGCAGTGAGGACGGTAGTTTGTCGTTCCATCGCACC', name='Y1')
Y2 = Strand('CGTTAACGGGTGCGATGGAACGACTTTCGACAGGCCTGGTGTAATTTCACCCATGTTAGTCGA', name='Y2')
Y3 = Strand('ATACGGAAAATGGAGATAGGAAGAGTACAATGTCAGCGATAAATTCCGTATACGACACCAGGCCTGTCGATTACTACCGTCCTCACTG', name='Y3')

t1 = Tube({Y1: 1e-8, Y2: 1e-8, Y3:1e-8 },complexes=SetSpec(max_size=4), name='Tube 1')

my_result = tube_analysis(tubes=[t1], model=model1,
    compute=['pfunc', 'pairs', 'mfe', 'sample', 'subopt'],
    options={'num_sample': 1, 'energy_gap': 0.5})
print(my_result)

--------------------------- --------------- 单复合物绘图------------------------------
target = '(Y1+Y1+Y2+Y3)'   # 替换为你的目标复合物名称
all_strands = [Y1, Y2, Y3]  # 所有链的列表

# 1. 获取并打印MFE结构
mfe_struct = get_mfe_structure(target, my_result, all_strands)
#print("MFE结构：", mfe_struct)

# 2. 绘制二级结构
draw_complex(target, my_result, all_strands, output_folder="/home/zsy")
--------------------------------------------批量绘图-----------------------------------
strands_list = [Y1, Y2, Y3]
draw_all_complexes(my_result, strands_list, output_folder="/home/zsy/jihe")