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.