用python 写了一个求空间俩点之间的距离的脚本,python俩点,import mathL


import mathL1=['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_coordinatedef 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 ddef 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

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