get_structure
#
- biotite.structure.io.pdbqt.get_structure(pdbqt_file, model=None)[source]#
Get an
AtomArray
orAtomArrayStack
from the PDBQT file.EXPERIMENTAL: Future API changes are probable.
- Parameters:
- pdbqt_filePDBQTFile
The PDBQT file.
- modelint, optional
If this parameter is given, the function will return an
AtomArray
from the atoms corresponding to the given model number (starting at 1). Negative values are used to index models starting from the last model insted of the first model. If this parameter is omitted, anAtomArrayStack
containing all models will be returned, even if the structure contains only one model.
- Returns:
- arrayAtomArray or AtomArrayStack
The return type depends on the model parameter.