MRCファイルの操作方法いろいろ

import mrcfile

# 入力と出力ファイル名を指定します
input_mrc_file = 'input.mrc'
output_mrc_file = 'output.mrc'
output_info_file = 'origin_info.txt'

# MRCファイルを読み込みます
with mrcfile.open(input_mrc_file, mode='r') as mrc:
    origin_info = mrc.header['origin']

    # Origin情報をorigin_info.txtに保存します
    with open(output_info_file, 'w') as info_file:
        info_file.write(f"Origin info:\n{origin_info}")

    # originを0にセットしてファイルを保存します
    with mrcfile.new(output_mrc_file, overwrite=True) as new_mrc:
        new_mrc.set_data(mrc.data)
        new_mrc.header = mrc.header.copy()
        new_mrc.header['origin'] = (0, 0, 0)

print("Origin info has been saved to origin_info.txt and origin has been set to 0 in the new MRC file.")

import mrcfile

def extract_and_reset_origin(input_mrc_file, output_mrc_file, output_info_file='origin_info.txt'):
    """
    Extract origin info from an MRC file, save it to a text file, and set the origin to (0, 0, 0) in a new MRC file.

    Args:
        input_mrc_file (str): Input MRC file path
        output_mrc_file (str): Output MRC file path with origin set to (0, 0, 0)
        output_info_file (str): Output text file path to store origin info, default is 'origin_info.txt'
    """
    with mrcfile.open(input_mrc_file, mode='r') as mrc:
        origin_info = mrc.header['origin']

        with open(output_info_file, 'w') as info_file:
            info_file.write(f"Origin info:\n{origin_info}")

        with mrcfile.new(output_mrc_file, overwrite=True) as new_mrc:
            new_mrc.set_data(mrc.data)
            new_mrc.header = mrc.header.copy()
            new_mrc.header['origin'] = (0, 0, 0)

    print("Origin info has been saved to origin_info.txt and origin has been set to 0 in the new MRC file.")

from mrc_origin import extract_and_reset_origin

input_mrc_file = 'input.mrc'
output_mrc_file = 'output.mrc'
output_info_file = 'origin_info.txt'

extract_and_reset_origin(input_mrc_file, output_mrc_file, output_info_file)

import os
import struct

# MRCHeader class and read_mrc_header function should be here (from the previous code block)

def write_mrc_header(filename, header):
    with open(filename, "r+b") as f:
        f.write(struct.pack('iiiiiiiiii', header.nx, header.ny, header.nz, header.mode, header.nxstart, header.nystart, header.nzstart, header.mx, header.my, header.mz))
        f.write(struct.pack('fff', *header.cella))
        f.write(struct.pack('fff', *header.cellb))
        f.write(struct.pack('iiiffffii', header.mapc, header.mapr, header.maps, header.dmin, header.dmax, header.dmean, header.ispg, header.nsymbt))
        f.write(struct.pack('25i', *header.extra))
        f.write(struct.pack('i', header.exttyp))
        f.write(struct.pack('i', header.nversion))
        f.write(struct.pack('iii', *header.origin))
        f.write(header.map.encode('ascii'))
        f.write(struct.pack('i', header.machst))
        f.write(struct.pack('f', header.rms))
        f.write(struct.pack('i', header.nlabl))
        for i in range(10):
            f.write(struct.pack('80s', header.labels[i].ljust(80).encode('ascii')))

def update_mrc_header(filename, modifications):
    header = read_mrc_header(filename)

    for key, value in modifications.items():
        if hasattr(header, key):
            setattr(header, key, value)
        else:
            print(f"Warning: Unknown header field '{key}', skipping.")

    write_mrc_header(filename, header)

def main():
    filename = "your_mrc_file.mrc"
    if not os.path.exists(filename):
        print(f"File {filename} does not exist.")
        return

    # Define modifications as a dictionary: {"field_name": new_value}
    modifications = {
        "nx": 100,
        "ny": 200,
        "mode": 2,
    }

    update_mrc_header(filename, modifications)

    # Print updated header
    updated_header = read_mrc_header(filename)
    print(f"Updated NX: {updated_header.nx}, Updated NY: {updated_header.ny}")
    print(f"Updated MODE: {updated_header.mode}")

if __name__ == "__main__":
    main()