用python 写了一个求空间俩点之间的距离的脚本

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