rmsd,rodogi

rmsd's People

Contributors

Watchers

rmsd's Issues

TypeError: '>' not supported between instances of 'NoneType' and 'float'

I used pd2_ca2main to generate a new PDB file. However, I am unable to calculate RMSD:

user_name@server_name:~/bbq_spatial$ python3 rmsd.py  ./bbq_input_pdb/pdb1akp.pdb  ./bbq_output_pdb/pdb1akp.pdb
Traceback (most recent call last):
  File "rmsd.py", line 80, in <module>
    _rmsd = rmsd(args[1], args[2])
  File "rmsd.py", line 43, in rmsd
    prot2 = parser.get_structure(prot2, prot2)[0] #######################
  File "/usr/local/lib/python3.7/site-packages/Bio/PDB/PDBParser.py", line 86, in get_structure
    self._parse(handle.readlines())
  File "/usr/local/lib/python3.7/site-packages/Bio/PDB/PDBParser.py", line 107, in _parse
    self.header, coords_trailer = self._get_header(header_coords_trailer)
  File "/usr/local/lib/python3.7/site-packages/Bio/PDB/PDBParser.py", line 125, in _get_header
    header_dict = _parse_pdb_header_list(header)
  File "/usr/local/lib/python3.7/site-packages/Bio/PDB/parse_pdb_header.py", line 257, in _parse_pdb_header_list
    if dict['resolution'] > 0.0:
TypeError: '>' not supported between instances of 'NoneType' and 'float'
user_name@server_name:~/bbq_spatial$

Recommend Projects