These are the default values indeed as in the PDB format specification. The
changes to the parse are good, I just checked with the format specification
and it's pretty straightforward. I think it's good to go.


2014-02-19 14:29 GMT+01:00 Morten Kjeldgaard <notifications@github.com>:

> In Bio/PDB/parse_pdb_header.py:
>
> > @@ -142,6 +143,9 @@ def _parse_pdb_header_list(header):
> >          'structure_reference' : "unknown",
> >          'journal_reference' : "unknown",
> >          'author' : "",
> > +        'cell' : (1.0, 1.0, 1.0, 90.0, 90.0, 90.0),
> > +        'cell_z' : 1,
> > +        'spacegroup' : "P1",
> >          'compound':{'1':{'misc':''}},'source':{'1':{'misc':''}}}
>
> These values are read from the PDB file. Their presence (also for NMR
> structures) is mandated in the specification:
> http://deposit.rcsb.org/adit/docs/pdb_atom_format.html#CRYST1
>
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> .
>