biotite.structure.io.load_structure¶
- biotite.structure.io.load_structure(file_path, template=None, **kwargs)[source]¶
Load an
AtomArray
or class`AtomArrayStack` from a structure file without the need to manually instantiate aFile
object.Internally this function uses a
File
object, based on the file extension. Trajectory files furthermore require specification of the template parameter.- Parameters
- file_pathstr
The path to structure file.
- templateAtomArray or AtomArrayStack or file-like object or str, optional
Only required when reading a trajectory file.
- kwargs
Additional parameters will be passed to either the
get_structure()
orread()
method of the file object. This does not affect files given via the template parameter. The only exception is the atom_i, which is applied to the template as well if number of atoms do not match.
- Returns
- arrayAtomArray or AtomArrayStack
If the file contains multiple models, an AtomArrayStack is returned, otherwise an AtomArray is returned.
- Raises
- ValueError
If the file format (i.e. the file extension) is unknown.
- TypeError
If a trajectory file is loaded without specifying the template parameter.
Gallery¶
Construction of an adjacency matrix
Calculation of protein diameter
Hydrogen bonds between protein domains
Missing residues in protein structures of DNA-PKcs
Identification of lipid bilayer leaflets
Basic analysis of a MD simulation
Ramachandran plot of dynein motor domain
Determination of amino acid enantiomers
Solvation shells of sodium and chloride ions
Secondary structure during an MD simulation