translate_pdb_to_center

Module Contents

Functions

translate_pdb(pdb_input, pdb_output, atom_index)

Translates all PDB frames in a trajectory so that atom atom_index in frame 1 is at (0,0,0).

Attributes

input_pdb

translate_pdb_to_center.translate_pdb(pdb_input, pdb_output, atom_index)

Translates all PDB frames in a trajectory so that atom atom_index in frame 1 is at (0,0,0).

Parameters: - pdb_input: str, Path to the input PDB trajectory. - pdb_output: str, Path to the output translated PDB trajectory. - atom_index: int, The 1-based index of the atom to place at (0,0,0) in frame 1.

translate_pdb_to_center.input_pdb