__init__(self,
filename,
reorder_by_sequence=False,
first_occ=False,
translate_pdb_resnames=True)
(Constructor)
|
|
Initialize needed mmlibs and open the file 'filename'.
Note that the file will not be completely written until it is
explicitly closed or the object is garbage collected.
@type filename: str
@param filename:
The filename to write to.
@type reorder_by_sequence: bool
@param reorder_by_sequence:
Whether to re-order the residues by sequence before writing the
PDB file.
@type first_occ: bool
@param first_occ:
If True and there are alternate occupancy sites, only the first
occupancy site will be included in the output PDB file. Otherwise,
all occupancy sites will be included.
@type translate_pdb_resnames: bool
@param translate_pdb_resnames:
If True, the pdb residue names get converted to a standard set.
If False, the translation is turned off.
NOTE: Any existing file will be overwritten when the class instance
is created.
- Overrides:
object.__init__
|