用python 写了一个求空间俩点之间的距离的脚本详解编程语言

import math 
L1=['104','32','249','177'] 
L2=['191','538','317','795'] 
L3=['735','346','542','429'] 
L4=['434','277','659','132'] 
L5=['866','569','46','763'] 
def Search_data(store_pdb,List_data): 
    f_pdb=open(store_pdb,'r') 
    lines=f_pdb.readlines() 
    f_pdb.close() 
    space_coordinate_1=[] 
    space_coordinate_2=[] 
    for line in lines: 
        line_data=line.split() 
        if List_data[0] in line_data[4:] and 'P' in line_data[2:]: 
            space_coordinate_1.append(line_data[-5:-2]) 
            continue 
        elif List_data[1] in line_data[4:] and 'P' in line_data[2:]: 
            space_coordinate_1.append(line_data[-5:-2]) 
            continue 
        elif List_data[2] in line_data[4:] and 'P' in line_data[2:]: 
            space_coordinate_2.append(line_data[-5:-2]) 
            continue 
        elif List_data[3] in line_data[4:] and 'P' in line_data[2:]: 
            space_coordinate_2.append(line_data[-5:-2]) 
            continue 
    space_coordinate=(space_coordinate_1,space_coordinate_2) 
    return  space_coordinate 
def Get_distance(store_pdb,List_data): 
    one_tuple_data=Search_data(store_pdb,List_data) 
    point_list_one=one_tuple_data[0] 
    point_list_two=one_tuple_data[1] 
    x1=(float(point_list_one[0][0])+float(point_list_one[1][0]))/2 
    y1=(float(point_list_one[0][1])+float(point_list_one[1][1]))/2 
    z1=(float(point_list_one[0][2])+float(point_list_one[1][2]))/2 
    x2=(float(point_list_two[0][0])+float(point_list_two[1][0]))/2 
    y2=(float(point_list_two[0][1])+float(point_list_two[1][1]))/2 
    z2=(float(point_list_two[0][2])+float(point_list_two[1][2]))/2 
    d=math.sqrt((x1-x2)**2+(y1-y2)**2+(z1-z2)**2)-20 
    return d 
def distance_files(store_pdb): 
    L=[L1,L2,L3,L4,L5] 
    for i in range(0,len(L)): 
        distance_file=open('distance files %d'%(i+1),'a+') 
        d=Get_distance(store_pdb,L[i]) 
        distance_file.write(str(d)+'/n') 
        distance_file.close() 
if __name__=="__main__": 
 
    distance_files('1.pdb') 
 

其中列表L为源文件中要找的第几行的数据，每一行中都有空间的一个点的坐标，srore_pdb为存放数据的pdb文件，list_data为上面的列表