new_contents: #!/usr/bin/env python
  # -*- coding: utf-8 -*-
  """
  
  """
  from __future__ import print_function
  import argparse
  from rna_tools.tools.mq.RNA3DCNN.RNA3DCNN import RNA3DCNN
  import os
  import pandas as pd
  
  def get_parser():
      parser = argparse.ArgumentParser(
          description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter)
      parser.add_argument("-v", "--verbose",
                          action="store_true", help="be verbose")
      parser.add_argument('-d', "--done", help="a csv with already done scores", default="")
      parser.add_argument("file", help="", default="", nargs='+')
      return parser
  
  
  if __name__ == '__main__':
      parser = get_parser()
      args = parser.parse_args()
  
      if list != type(args.file):
          args.file = [args.file]
      print('id,fn,rna3dcnn')
      if args.done:
          df = pd.read_csv(args.done)
      for i, f in enumerate(args.file):
          if df.loc[df['fn'] == os.path.basename(f)].empty:
              wrapper = RNA3DCNN()
              result = wrapper.run(f, args.verbose)
              print(','.join([str(i + 1), os.path.basename(f), str(result)]))
  
subject: add rna_mq_rna3dcnn.py