我正在编写代码来组合文本文件,但遇到了一个错误,我在解决时遇到了问题。谷歌没有帮助。
代码为:
#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Thu Sep 26 09:51:55 2019
@author: comp
"""
import numpy as np
NAME = input("Enter Molecule ID: ")
NAME_IN = NAME+'_apo-1acl.RMSD'
DATA = []
DATA = np.genfromtxt(NAME_IN, skip_header=7, dtype=None, delimiter=' ')
文本文件为:
RMSD TABLE
__________
_____________________________________________________________________
| | | | | |
Rank | Sub- | Run | Binding | Cluster | Reference | Grep
| Rank | | Energy | RMSD | RMSD | Pattern
_____|______|______|___________|_________|_________________|___________
1 1 8 -7.23 0.00 93.07 RANKING
1 2 9 -6.79 1.39 92.64 RANKING
2 1 16 -7.18 0.00 93.19 RANKING
3 1 2 -6.93 0.00 93.38 RANKING
3 2 17 -6.84 0.23 93.45 RANKING
4 1 15 -6.55 0.00 91.83 RANKING
4 2 7 -6.34 0.33 91.77 RANKING
5 1 5 -6.41 0.00 93.05 RANKING
6 1 3 -6.36 0.00 92.84 RANKING
6 2 10 -6.28 0.47 92.92 RANKING
6 3 6 -6.27 0.43 92.82 RANKING
6 4 18 -6.25 0.32 92.88 RANKING
6 5 13 -6.24 0.96 92.75 RANKING
6 6 1 -6.24 0.87 92.60 RANKING
6 7 14 -6.21 0.51 92.90 RANKING
6 8 11 -6.14 0.98 92.78 RANKING
6 9 20 -6.11 0.71 92.67 RANKING
6 10 19 -6.01 1.36 93.00 RANKING
7 1 12 -6.30 0.00 93.28 RANKING
8 1 4 -5.85 0.00 92.97 RANKING
_______________________________________________________________________
错误是:
Traceback (most recent call last):
File "/home/comp/Apps/Models/1-PhosphorusLigands/CombinedLigands/MOL/Docking/Results/RMSDTable/CombineRMSDFiles.py", line 14, in <module>
DATA = np.genfromtxt(NAME_IN, skip_header=7, dtype=None, delimiter=' ')
File "/home/comp/Apps/Miniconda3/lib/python3.7/site-packages/numpy/lib/npyio.py", line 2075, in genfromtxt
raise ValueError(errmsg)
ValueError: Some errors were detected !
Line #9 (got 42 columns instead of 1)
Line #10 (got 42 columns instead of 1)
Line #11 (got 41 columns instead of 1)
Line #12 (got 42 columns instead of 1)
Line #13 (got 41 columns instead of 1)
Line #14 (got 41 columns instead of 1)
Line #15 (got 42 columns instead of 1)
Line #16 (got 42 columns instead of 1)
Line #17 (got 42 columns instead of 1)
Line #18 (got 41 columns instead of 1)
Line #19 (got 42 columns instead of 1)
Line #20 (got 41 columns instead of 1)
Line #21 (got 41 columns instead of 1)
Line #22 (got 42 columns instead of 1)
Line #23 (got 41 columns instead of 1)
Line #24 (got 41 columns instead of 1)
Line #25 (got 41 columns instead of 1)
Line #26 (got 40 columns instead of 1)
Line #27 (got 41 columns instead of 1)
Line #28 (got 42 columns instead of 1)
在这一点上,我什至不知道如何问这个问题。
使用文件示例的复制粘贴:
In [89]: np.genfromtxt(txt.splitlines(), dtype=None, encoding=None, skip_header=
...: 8)
Out[89]:
array([(1, 1, 8, -7.23, 0. , 93.07, 'RANKING'),
(1, 2, 9, -6.79, 1.39, 92.64, 'RANKING'),
(2, 1, 16, -7.18, 0. , 93.19, 'RANKING'),
(3, 1, 2, -6.93, 0. , 93.38, 'RANKING'),
(3, 2, 17, -6.84, 0.23, 93.45, 'RANKING'),
(4, 1, 15, -6.55, 0. , 91.83, 'RANKING'),
(4, 2, 7, -6.34, 0.33, 91.77, 'RANKING'),
(5, 1, 5, -6.41, 0. , 93.05, 'RANKING'),
(6, 1, 3, -6.36, 0. , 92.84, 'RANKING'),
(6, 2, 10, -6.28, 0.47, 92.92, 'RANKING'),
(6, 3, 6, -6.27, 0.43, 92.82, 'RANKING'),
(6, 4, 18, -6.25, 0.32, 92.88, 'RANKING'),
(6, 5, 13, -6.24, 0.96, 92.75, 'RANKING'),
(6, 6, 1, -6.24, 0.87, 92.6 , 'RANKING'),
(6, 7, 14, -6.21, 0.51, 92.9 , 'RANKING'),
(6, 8, 11, -6.14, 0.98, 92.78, 'RANKING'),
(6, 9, 20, -6.11, 0.71, 92.67, 'RANKING'),
(6, 10, 19, -6.01, 1.36, 93. , 'RANKING'),
(7, 1, 12, -6.3 , 0. , 93.28, 'RANKING'),
(8, 1, 4, -5.85, 0. , 92.97, 'RANKING')],
dtype=[('f0', '<i8'), ('f1', '<i8'), ('f2', '<i8'), ('f3', '<f8'), ('f4', '<f8'), ('f5', '<f8'), ('f6', '<U7')])