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Select

cli_select_atoms()

Command-line interface for selecting atoms in PDB file.

run_select_atoms(pdb_path, select_string, output_path=None)

Select atoms from PDB file.

PARAMETER DESCRIPTION
pdb_path

Path to PDB file.

TYPE: str

select_string

[MDAnalysis selection string] (https://docs.mdanalysis.org/stable/documentation_pages/selections.html)

TYPE: str

output_path

Path to save new PDB file. If None, then no file is written.

TYPE: str | None DEFAULT: None

RETURNS DESCRIPTION
AtomGroup

Atomic positions after atom selection.