[tools] pyinstaller

python file to .exe

Install

pip install pyinstaller

python 文件

这里举个例子：

建一个.py 文件，保存为extract_model.py

这是一个用于unzip AF zip并且extract *_model_0.cif的一个程序。需要提前把所有的zip放到一个source文件夹里，然后再新建一个dest文件夹。

import shutil
from pathlib import Path
import zipfile
import sys
import tempfile

def extract_all_zips(source_dir: Path, temp_dir: Path):
    for zip_path in source_dir.rglob("*.zip"):
        try:
            with zipfile.ZipFile(zip_path, 'r') as zip_ref:
                unzip_target = temp_dir / zip_path.stem
                unzip_target.mkdir(parents=True, exist_ok=True)
                zip_ref.extractall(unzip_target)
                print(f"Unzipped: {zip_path} → {unzip_target}")
        except zipfile.BadZipFile:
            print(f"Warning: Cannot unzip {zip_path}")

def copy_all_model_0_cif(temp_dir: Path, dest_dir: Path):
    dest_dir.mkdir(parents=True, exist_ok=True)
    for cif_file in temp_dir.rglob("*_model_0.cif"):
        dest_file = dest_dir / cif_file.name
        shutil.copy(cif_file, dest_file)
        print(f"Copied: {cif_file} → {dest_file}")

if __name__ == "__main__":
    if len(sys.argv) == 3:
        source_dir = Path(sys.argv[1])
        dest_dir = Path(sys.argv[2])
    else:
        # Ask for paths if none provided
        print("No source/destination provided. Please enter them manually.")
        source_input = input("Enter full path to source directory: ").strip('"')
        dest_input = input("Enter full path to destination directory: ").strip('"')
        source_dir = Path(source_input)
        dest_dir = Path(dest_input)

    if not source_dir.exists():
        print(f"Error: Source directory '{source_dir}' does not exist.")
        input("Press Enter to exit...")
        sys.exit(1)

    with tempfile.TemporaryDirectory() as tmpdirname:
        temp_dir = Path(tmpdirname)
        extract_all_zips(source_dir, temp_dir)
        copy_all_model_0_cif(temp_dir, dest_dir)

    print("Done.")
    input("Press Enter to exit...")

py to exe

把该.py转换成exe，注意要在windows的terminal进行，如果是ubuntu就不会生成.exe

pyinstaller --onefile extract_model.py

然后在当前dir里打开dist文件夹，里面就是.exe，运行，然后把文件夹拖进去就有path显示了。