Rosetta Protein Prediction Tools-----clean_pdb.py

输入文件(也就是PDB文件)

–在这里只给出一部分能够说明问题即可

ATOM      1  N   MET A   1      36.644 -24.949   8.853  1.00 29.12           N  
ATOM      2  CA  MET A   1      36.942 -23.581   8.984  1.00 19.55           C  
ATOM      3  C   MET A   1      35.712 -22.887   9.526  1.00 22.27           C  
ATOM      4  O   MET A   1      34.626 -23.375   9.258  1.00 18.31           O  
ATOM      5  CB  MET A   1      37.365 -23.090   7.599  1.00  8.40           C  
ATOM      6  CG  MET A   1      37.639 -21.603   7.644  1.00 30.36           C  
ATOM      7  SD  MET A   1      39.309 -21.106   7.226  1.00 39.80           S  
ATOM      8  CE  MET A   1      40.241 -22.126   8.356  1.00 44.83           C  
ATOM      9  N   ASN A   2      35.890 -21.796  10.310  1.00 17.74           N  
ATOM     10  CA  ASN A   2      34.809 -21.015  10.918  1.00  5.91           C  
ATOM     11  C   ASN A   2      35.236 -19.557  10.931  1.00 11.34           C  
ATOM     12  O   ASN A   2      36.390 -19.244  10.620  1.00  9.58           O  
ATOM     13  CB  ASN A   2      34.487 -21.602  12.355  1.00  9.68           C  
ATOM     14  CG  ASN A   2      35.645 -21.566  13.309  1.00 11.82           C  
ATOM     15  OD1 ASN A   2      36.176 -20.496  13.515  1.00 18.42           O  
ATOM     16  ND2 ASN A   2      36.013 -22.685  13.919  1.00  9.43           N  
ATOM     17  N   ILE A   3      34.315 -18.689  11.287  1.00  6.65           N  
ATOM     18  CA  ILE A   3      34.543 -17.262  11.353  1.00 10.61           C  
ATOM     19  C   ILE A   3      35.794 -16.849  12.198  1.00 14.73           C  

Python脚本文件

–在这里也就是我们的clean_pdb.py
–该有注释的地方我也给了注释，由于python对于中文编码的问题比较麻烦，索性我就都用英文写了注释。

import sys
import os
from sys import argv, stderr, stdout
from os import popen, system