biotite.structure.io.pdb

This subpackage is used for reading and writing an AtomArray or AtomArrayStack using the popular PDB format. Since this format has some limitations, it will be completely replaced someday by the modern PDBx/mmCIF format. Therefore this subpackage should only be used, if usage of the PDBx/mmCIF format is not suitable (e.g. when interfacing other software). In all other cases, usage of the pdbx subpackage is encouraged.

Content

PDBFile

This class represents a PDB file.

get_assembly

Build the given biological assembly.

get_model_count

Get the number of models contained in a PDBFile.

get_structure

Create an AtomArray or AtomArrayStack from a PDBFile.

get_symmetry_mates

Build a structure model containing all symmetric copies of the structure within a single unit cell, given by the space group.

list_assemblies

List the biological assemblies that are available for the structure in the given file.

set_structure

write an AtomArray or AtomArrayStack into a PDBFile.