Pthon批量处理将pdb文件生成dssp文件
# -*- 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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