Home Backend Development Python Tutorial Pthon批量处理将pdb文件生成dssp文件

Pthon批量处理将pdb文件生成dssp文件

Jun 10, 2016 pm 03:10 PM
pdb file Batch processing

# -*- coding: utf-8 -*-
"""
Created on Sat Jun 20 19:36:34 2015

@author: chaofn
"""
import os

"""
这个程序的目的是将linux下/ifs/home/fanchao/Manesh_pdb目录中的所有文件(一共有215个文件)
批处理
将pdb文件生成dssp文件

"""
#listdir返回文件名的列表
fileLine=os.listdir('/ifs/home/fanchao/Manesh_pdb')
#遍历整个列表
for i in range(len(fileLine)-1):
  #将字符串用变量表示
  input_file='/ifs/home/fanchao/Manesh_pdb/'+fileLine[i]
  #先去掉文件名的后缀,然后形成后缀为dssp的文件名
  out_file=fileLine[i].split('.')[0]+'.dssp'
  output_file='/ifs/home/fanchao/Manesh_dssp/'+out_file
  #注意:参数的传递(先是%s,然后是%变量名),多个变量的传入要用元组表示,在元组前用%
  os.system('/ifs/share/lib/dssp/dssp2 -i %s -o %s' %(input_file,output_file))
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