解决办法:
1.将要处理的文件运用bash命令写入文本,这里是’PDBlist’,也就排除掉’*_model.pdb’文件
2.然后在python脚本中读入
def commandline1(start,end):
filepath = ''
calpath = os.getcwd() #get current directory
filename = open('../PDBlist','r')
files = list(filename) #!!!直到这一步才将pdb名字读入列表
# files = os.listdir(filepath) #Return (the list!!!) of files and folders under 'filepath'.
for i,item0 in enumerate(files[start:end]):
item=item0.strip() #这里需要将pdb名字后面的空格去掉
command = 'oscar -design ' +item +' >> ../outpath/'+item+'.result'
write_qsbatch_file('sbatch_cpu'+str(i)+'.slurm',filepath,item, command)
os.system('sbatch sbatch_cpu' + str(i) +'.slurm') #Convert a string to a command and run it on the server
filename.close() #!!!使用文件过后要关闭文件



