Structure.subset_by_range#

Structure.subset_by_range(start, stop, chain=None)[source]#

Return a subset of the structure within a specific range of residues.

Parameters:

startint: The starting residue sequence number.
stopint: The ending residue sequence number.
chainstr, optional: The chain identifier. If multiple chains should be selected they need to be a comma separated string, e.g. ‘A,B,CE’. If chain None, all chains are returned. Default is None.

Returns:

Structure: A subset of the original structure within the specified residue range.

Raises:

ValueError: If none of the specified residue chain combinations exist.

Examples

>>> from importlib_resources import files
>>> from tme import Structure
>>> fname = str(files("tests.data").joinpath("Structures/5khe.cif"))
>>> structure = Structure.from_file(filename=fname)
>>> structure.subset_by_range(chain="A",start=150,stop=180)