我想为我的代码创建输入目录，从输入目录中获取输入文件，并在输出（不同文件夹）目录中保存与输入文件相同的名称。
脚本：
import sys
import glob
import errno
import os
d = {}
chainIDs = ('A', 'B')
atomIDs = ('C4B', 'O4B', 'C1B', 'C2B', 'C3B', 'C4B', 'O4B', 'C1B')
count = 0
for doc in os.listdir('/C:/Users/Vishnu/Desktop/Test_folder/Input'):
doc1 = "doc_path" + doc
doc2 = "/C:/Users/Vishnu/Desktop/Test_folder/Output" + doc1
if doc1.endswith(".pdb"):
with open(doc) as pdbfile:
single_line = ''.join([line for line in f])
single_space = ' '.join(single_line.split())
for line in map(str.rstrip, pdbfile):
if line[:6] != "HETATM":
continue
chainID = line[21:22]
atomID = line[13:16].strip()
if chainID not in chainIDs:
continue
if atomID not in atomIDs:
continue
try:
d[chainID][atomID] = line
except KeyError:
d[chainID] = {atomID: line}
n = 4
for chainID in chainIDs:
for i in range(len(atomIDs)-n+1):
for j in range(n):
with open(doc2.format(count) , "w") as doc2:
doc2.write(d[chainID][atomIDs[i+j]])
count += 1
else:
continue
运行上面代码时出现错误，我是python中的新手，只是学习，有人可以帮忙吗？ 错误：
with open(doc) as pdbfile:
^
IndentationError: expected an indented block
>>>
输入文件：
HETATM15207 C4B NAD A 501 47.266 101.038 7.214 1.00 11.48 C
HETATM15208 O4B NAD A 501 46.466 100.713 8.371 1.00 11.48 O
HETATM15209 C3B NAD A 501 47.659 99.689 6.567 1.00 11.48 C
HETATM15211 C2B NAD A 501 46.447 98.835 6.988 1.00 11.48 C
HETATM15213 C1B NAD A 501 46.221 99.300 8.426 1.00 11.48 C
HETATM15252 C4B NAD B 501 36.455 115.053 36.671 1.00 11.25 C
HETATM15253 O4B NAD B 501 35.930 114.469 35.492 1.00 11.25 O
HETATM15254 C3B NAD B 501 35.307 115.837 37.367 1.00 11.25 C
HETATM15256 C2B NAD B 501 34.172 114.876 37.039 1.00 11.25 C
HETATM15258 C1B NAD B 501 34.524 114.613 35.551 1.00 11.25 C
HETATM15297 C4B NAD C 501 98.229 130.106 18.332 1.00 12.28 C
HETATM15298 O4B NAD C 501 98.083 131.545 18.199 1.00 12.28 O
HETATM15299 C3B NAD C 501 99.346 129.675 17.343 1.00 12.28 C
HETATM15301 C2B NAD C 501 100.220 130.922 17.375 1.00 12.28 C
HETATM15303 C1B NAD C 501 99.125 132.008 17.317 1.00 12.28 C
HETATM15342 C4B NAD D 501 77.335 156.939 25.788 1.00 11.99 C
HETATM15343 O4B NAD D 501 78.705 156.544 25.901 1.00 11.99 O
HETATM15344 C3B NAD D 501 77.106 158.059 26.824 1.00 11.99 C
HETATM15346 C2B NAD D 501 78.536 158.632 26.878 1.00 11.99 C
HETATM15348 C1B NAD D 501 79.351 157.345 26.900 1.00 11.99 C
第2栏是残留名称，第4栏是A，B，C，D是链ID：
每个链ID的预期输出（A，B ..... Z）链ID可能是A到Z，但主要是A到H：
对于A链：
HETATM15207 C4B NAD A 501 47.266 101.038 7.214 1.00 11.48 C
HETATM15208 O4B NAD A 501 46.466 100.713 8.371 1.00 11.48 O
HETATM15213 C1B NAD A 501 46.221 99.300 8.426 1.00 11.48 C
HETATM15211 C2B NAD A 501 46.447 98.835 6.988 1.00 11.48 C
HETATM15208 O4B NAD A 501 46.466 100.713 8.371 1.00 11.48 O
HETATM15213 C1B NAD A 501 46.221 99.300 8.426 1.00 11.48 C
HETATM15211 C2B NAD A 501 46.447 98.835 6.988 1.00 11.48 C
HETATM15209 C3B NAD A 501 47.659 99.689 6.567 1.00 11.48 C
HETATM15213 C1B NAD A 501 46.221 99.300 8.426 1.00 11.48 C
HETATM15211 C2B NAD A 501 46.447 98.835 6.988 1.00 11.48 C
HETATM15209 C3B NAD A 501 47.659 99.689 6.567 1.00 11.48 C
HETATM15207 C4B NAD A 501 47.266 101.038 7.214 1.00 11.48 C
HETATM15211 C2B NAD A 501 46.447 98.835 6.988 1.00 11.48 C
HETATM15209 C3B NAD A 501 47.659 99.689 6.567 1.00 11.48 C
HETATM15207 C4B NAD A 501 47.266 101.038 7.214 1.00 11.48 C
HETATM15208 O4B NAD A 501 46.466 100.713 8.371 1.00 11.48 O
HETATM15209 C3B NAD A 501 47.659 99.689 6.567 1.00 11.48 C
HETATM15207 C4B NAD A 501 47.266 101.038 7.214 1.00 11.48 C
HETATM15208 O4B NAD A 501 46.466 100.713 8.371 1.00 11.48 O
HETATM15213 C1B NAD A 501 46.221 99.300 8.426 1.00 11.48 C
答案 0 :(得分：0)
IndentationError正在显示，因为您似乎在with open(doc) as pdbfile:行下面缩进了两个标签。
希望这有帮助！
答案 1 :(得分：0)
import sys
import glob
import errno
import os
d = {}
chainIDs = ('A', 'B')
atomIDs = ('C4B', 'O4B', 'C1B', 'C2B', 'C3B', 'C4B', 'O4B', 'C1B')
count = 0
doc_path=r'C:\Users\Vishnu\Desktop\Test_folder\Input'
tar_path=r'C:\Users\Vishnu\Desktop\Test_folder\Output'
for doc in os.listdir(doc_path):
doc1 = doc_path+'\\'+ doc
doc2 = tar_path+'\\'+ doc
if doc1.endswith(".pdb"):
print(doc1,doc2)
with open(doc1) as pdbfile:
# single_line = ''.join([line for line in f])
# single_space = ' '.join(single_line.split())
for line in map(str.rstrip, pdbfile):
if line[:6] != "HETATM":
continue
chainID = line[21:22]
atomID = line[13:16].strip()
if chainID not in chainIDs:
continue
if atomID not in atomIDs:
continue
try:
d[chainID][atomID] = line
except KeyError:
d[chainID] = {atomID: line}
n = 4
for chainID in chainIDs:
for i in range(len(atomIDs)-n+1):
for j in range(n):
with open(doc2 , "w+") as s:
s.write(d[chainID][atomIDs[i+j]])
count += 1
else:
continue