chemcoord.Cartesian.read_xyz

Cartesian.read_xyz(buf, start_index=0, get_bonds=True, nrows=None, engine=None)

Read a file of coordinate information.

Reads xyz-files.

Parameters:
  • inputfile (str) –
  • start_index (int) –
  • get_bonds (bool) –
  • nrows (int) – Number of rows of file to read. Note that the first two rows are implicitly excluded.
  • engine (str) – Wrapper for argument of pandas.read_csv().
Returns:
Return type:

Cartesian