biotite.structure.io.pdbx
This subpackage provides support for the the modern PDBx/mmCIF file
format. The PDBxFile
class provides dictionary-like access to
every field in PDBx/mmCIF files.
Additional utility functions allow conversion of these dictionaries to
AtomArray
and AtomArrayStack
objects and vice versa.
Content
PDBxFile
|
This class represents a PDBx/mmCIF file. |
get_assembly
|
Build the given biological assembly. |
get_component
|
Create an AtomArray for a chemical component from the chem_comp_atom and, if available, the chem_comp_bond category in a PDBxFile . |
get_model_count
|
Get the number of models contained in a PDBxFile . |
get_sequence
|
Get the protein and nucleotide sequences from the entity_poly.pdbx_seq_one_letter_code_can entry. |
get_structure
|
Create an AtomArray or AtomArrayStack from the atom_site category in a PDBxFile . |
list_assemblies
|
List the biological assemblies that are available for the structure in the given file. |
set_component
|
Set the chem_comp_atom and, if bonds are available, chem_comp_bond category with atom information from an AtomArray . |
set_structure
|
Set the atom_site category with atom information from an AtomArray or AtomArrayStack . |