Deals with contructing the Structure object. The StructureBuilder class is used
by the PDBParser classes to translate a file to a Structure object.
Methods
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__init__
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__init__ ( self )
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_is_completely_disordered
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_is_completely_disordered ( self, residue )
Return 1 if all atoms in the residue have a non blanc altloc.
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get_structure
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get_structure ( self )
Return the structure.
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init_atom
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init_atom (
self,
name,
coord,
b_factor,
occupancy,
altloc,
fullname,
)
Initiate a new Atom object.
Arguments:
o name - string, atom name, e.g. CA, spaces should be stripped
o coord - Numpy array (Float0, size 3), atomic coordinates
o b_factor - float, B factor
o occupancy - float
o altloc - string, alternative location specifier
o fullname - string, atom name including spaces, e.g. " CA "
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init_chain
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init_chain ( self, chain_id )
Initiate a new Chain object with given id.
Arguments:
o chain_id - string
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init_model
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init_model ( self, model_id )
Initiate a new Model object with given id.
Arguments:
o id - int
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init_residue
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init_residue (
self,
resname,
field,
resseq,
icode,
)
Initiate a new Residue object.
Arguments:
o resname - string, e.g. "ASN"
o field - hetero flag, "W" for waters, "H_" followed by the residue name for
hetero residues (e.g. "H_FUC"), default blanc.
o resseq - int, sequence identifier
o icode - string, insertion code
Exceptions
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PDBConstructionException, "Blank altlocs in duplicate residue %s ('%s', %i, '%s')" %( resname, field, resseq, icode )
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init_seg
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init_seg ( self, segid )
Flag a change in segid.
Arguments:
o segid - string
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init_structure
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init_structure ( self, structure_id )
Initiate a new Structure object with given id.
Arguments:
o id - string
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set_anisou
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set_anisou ( self, anisou_array )
Set anisotropic B factor of current Atom.
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set_line_counter
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set_line_counter ( self, line_counter )
The line counter keeps track of the line in the PDB file that
is being parsed. Arguments:
o line_counter - int
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set_sigatm
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set_sigatm ( self, sigatm_array )
Set standard deviation of atom position of current Atom.
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set_siguij
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set_siguij ( self, siguij_array )
Set standard deviation of anisotropic B factor of current Atom.
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