excel image file

txt image file

I am a biology student and have no experience in coding. I want to make txt files from specific data from excel files. The data in the txt file should be in the format given in the txt file where

center_x = data from center_x and pocket 1 (col 7, row 2)
center_y = data from center_y and pocket 1 (col 8, row 2)
center_z = data from center_z and pocket 1 (col 9, row 2)

and

size_x = 60
size_y = 60
size_z = 60

energy_range = 10

How can I make a python script which can do this for 1000 excel files? Any help will be highly appreciated.

CodePudding user response：

First do it for single file and put code in function which get filename as argumetn - ie. function(filename) - and later use for-loop to execute it for many filenames on list.

import pandas as pd

def function(filename):
    df = pd.read_csv(filename, sep='\s*,\s*', engine='python')
    #print(df.columns)
    
    row = df[ df['name'] == 'pocket1' ]
    x = row['center_x'][0]
    y = row['center_y'][0]
    z = row['center_z'][0]
    
    #print(x, y, z)
    
    text = ""
    text  = f"center_x = {x}\n"
    text  = f"center_y = {y}\n"
    text  = f"center_z = {z}\n"
    text  = f"\n"    
    text  = f"size_x = 60\n"    
    text  = f"size_y = 60\n"    
    text  = f"size_z = 60\n"
    text  = "\n"
    text  = "energy_range = 10\n"
    
    print(text)
    
    with open(filename   '.txt', 'w') as fh:
        fh.write(text)
        
# --- main ---

#import os
#all_filenames = os.listdir()

#import glob
#all_filenames = glob.glob('*.csv')

all_filenames = ['structure.pdb_predictions.csv']

for filename in all_filenames:
    function(filename)