BinaryCIFFile
#
- class biotite.structure.io.pdbx.BinaryCIFFile(blocks=None)[source]#
Bases:
File
,_HierarchicalContainer
This class represents a BinaryCIF file.
The categories of the file can be accessed and modified like a dictionary. The values are
BinaryCIFBlock
objects.To parse or write a structure from/to a
BinaryCIFFile
object, use the high-levelget_structure()
orset_structure()
function respectively.Notes
The content of BinaryCIF files are lazily deserialized: Only when a column is accessed, the time consuming data decoding is performed. The decoded
BinaryCIFBlock
/BinaryCIFCategory
objects are cached for subsequent accesses.Examples
Read a BinaryCIF file and access its content:
>>> import os.path >>> file = BinaryCIFFile.read(os.path.join(path_to_structures, "1l2y.bcif")) >>> print(file["1L2Y"]["citation_author"]["name"].as_array()) ['Neidigh, J.W.' 'Fesinmeyer, R.M.' 'Andersen, N.H.'] >>> # Access the only block in the file >>> print(file.block["entity"]["pdbx_description"].as_item()) TC5b
Create a BinaryCIF file and write it to disk:
>>> category = BinaryCIFCategory({"some_column": "some_value"}) >>> block = BinaryCIFBlock({"some_category": category}) >>> file = BinaryCIFFile({"some_block": block}) >>> file.write(os.path.join(path_to_directory, "some_file.bcif"))
- Attributes:
- blockBinaryCIFBlock
The sole block of the file. If the file contains multiple blocks, an exception is raised.
- copy()#
Create a deep copy of this object.
- Returns:
- copy
A copy of this object.
- static deserialize(content)#
Create this component by deserializing the given content.
- Parameters:
- contentstr or dict
The content to be deserialized. The type of this parameter depends on the file format. In case of CIF files, this is the text of the lines that represent this component. In case of BinaryCIF files, this is a dictionary parsed from the MessagePack data.
- classmethod read(file)#
Read a BinaryCIF file.
- Parameters:
- filefile-like object or str
The file to be read. Alternatively a file path can be supplied.
- Returns:
- file_objectBinaryCIFFile
The parsed file.
- serialize()#
Convert this component into a Python object that can be written to a file.
- Returns:
- contentstr or dict
The content to be serialized. The type of this return value depends on the file format. In case of CIF files, this is the text of the lines that represent this component. In case of BinaryCIF files, this is a dictionary that can be encoded into MessagePack.
- static subcomponent_class()#
Get the class of the components that are stored in this component.
- Returns:
- subcomponent_classtype
The class of the subcomponent. If this component already represents the lowest level, i.e. it does not contain subcomponents,
None
is returned.
- static supercomponent_class()#
Get the class of the component that contains this component.
- Returns:
- supercomponent_classtype
The class of the supercomponent. If this component present already the highest level, i.e. it is not contained in another component,
None
is returned.
- write(file)#
Write contents into a BinaryCIF file.
- Parameters:
- filefile-like object or str
The file to be written to. Alternatively, a file path can be supplied.
Gallery#
Structural alignment of orthologous proteins using ‘Protein Blocks’
Three ways to get the secondary structure of a protein
Visualization of Watson-Crick base pairs
Contact sites of protein-DNA interaction
Docking a ligand to a receptor
BinaryCIF as trajectory format
Visualization of normal modes from an elastic network model
Biological assembly of a structure
Visualization of glycosylated amino acids
Superimposition of homologous protein structures