scm_molsg.Input.read_xyz

scm_molsg.Input.read_xyz(arg0: str) → scm_molsg_internal.Mol

Initializes a Mol from a .xyz file

Parameters

xyz (str) – The path to a .xyz file

Returns

An instance of a molecule

Return type

scm_molsg.Mol

Example

A simple demonstration of .xyz input

mol = scm_molsg.Input.read_xyz("file.xyz")