Python脚本中的缩进

Question

目的：给出一个PDB文件，打印出所有形成三级蛋白质结构中二硫键的半胱氨酸残基对。许可证：GNU GPL撰写者：Eric Miller

#!/usr/bin/env python 
import math 

def getDistance((x1,y1,z1),(x2,y2,z2)): 
    d = math.sqrt(pow((x1-x2),2)+pow((y1-y2),2)+pow((z1-z2),2)); 
    return round(d,3); 

def prettyPrint(dsBonds): 
    print "Residue 1\tResidue 2\tDistance"; 
    for (r1,r2,d) in dsBonds: 
    print " {0}\t\t {1}\t\t {2}".format(r1,r2,d); 

def main(): 
    pdbFile = open('2v5t.pdb','r'); 
    maxBondDist = 2.5; 

    isCysLine = lambda line: (line[0:4] == "ATOM" and line[13:15] == "SG"); 
    cysLines = [line for line in pdbFile if isCysLine(line)]; 
    pdbFile.close(); 

    getCoords = lambda line:(float(line[31:38]), 
     float(line[39:46]),float(line[47:54])); 
    cysCoords = map(getCoords, cysLines); 
    dsBonds = []; 

    for i in range(len(cysCoords)-1): 
     for j in range(i+1,len(cysCoords)): 
     dist = getDistance(cysCoords[i],cysCoords[j]); 
     residue1 = int(cysLines[i][23:27]); 
     residue2 = int(cysLines[j][23:27]); 
     if (dist < maxBondDist): 
      dsBonds.append((residue1,residue2,dist)); 

    prettyPrint(dsBonds); 

if __name__ == "__main__": 
    main() 

当我尝试运行此脚本时，出现缩进问题。我的工作目录中有2v5t.pdb（需要运行上面的脚本）。任何解决方案

Answer 1

对于我来说，缩进在'prettyPrint'和'main'中被打破。也不需要使用';'。试试这个：

#!/usr/bin/env python 
import math 

# Input: Two 3D points of the form (x,y,z). 
# Output: Euclidean distance between the points. 
def getDistance((x1, y1, z1), (x2, y2, z2)): 
    d = math.sqrt(pow((x1 - x2), 2) + pow((y1 - y2), 2) + pow((z1 - z2), 2)) 
    return round(d, 3) 

# Purpose: Prints a list of 3-tuples (r1,r2,d). R1 and r2 are 
# residue numbers, and d is the distance between their respective 
# gamma sulfur atoms. 
def prettyPrint(dsBonds): 
    print "Residue 1\tResidue 2\tDistance" 
    for r1, r2, d in dsBonds: 
     print " {0}\t\t {1}\t\t {2}".format(r1, r2, d) 

# Purpose: Find all pairs of cysteine residues whose gamma sulfur atoms 
# are within maxBondDist of each other. 
def main(): 
    pdbFile = open('2v5t.pdb','r') 
    #Max distance to consider a disulfide bond. 
    maxBondDist = 2.5 

    # Anonymous function to check if a line from the PDB file is a gamma 
    # sulfur atom from a cysteine residue. 
    isCysLine = lambda line: (line[0:4] == "ATOM" and line[13:15] == "SG") 
    cysLines = [line for line in pdbFile if isCysLine(line)] 
    pdbFile.close() 

    # Anonymous function to get (x,y,z) coordinates in angstroms for 
    # the location of a cysteine residue's gamma sulfur atom. 
    getCoords = lambda line:(float(line[31:38]), 
          float(line[39:46]), float(line[47:54])) 
    cysCoords = map(getCoords, cysLines) 
    # Make a list of all residue pairs classified as disulfide bonds. 
    dsBonds = [] 

    for i in range(len(cysCoords)-1): 
     for j in range(i+1, len(cysCoords)): 
     dist = getDistance(cysCoords[i], cysCoords[j]) 
     residue1 = int(cysLines[i][23:27]) 
     residue2 = int(cysLines[j][23:27]) 
     if dist < maxBondDist: 
      dsBonds.append((residue1,residue2,dist)) 

    prettyPrint(dsBonds) 

if __name__ == "__main__": 
    main() 

Answer 2

此：

if __name__ == "__main__": 
main() 

应该是：

if __name__ == "__main__": 
    main() 

此外，Python解释器会给你的信息在IndentationError 下到线上。我强烈建议阅读提供的错误消息，因为开发人员出于某种原因编写它们。

Answer 3

你没有说在错误被标记的，但却：

if __name__ == "__main__": 
main() 

应该是：

if __name__ == "__main__": 
    main() 

在最后一行