.. index:: single: Molecules; Atom Environment Extraction
           single: Molecules; Input
           single: Molecules; Output
           single: Molecules; SMILES Generation
           single: Molecules; Fragments
           single: Molecules; Components Perception
           single: Molecules; Components Property
           single: Molecules; Atom Property Calculation
           single: Molecules; Bond Property Calculation
           single: Molecules; Atom Processing
           single: Atoms; Environment Extraction
           single: Atoms; Property Calculation
           single: Bonds; Property Calculation
           single: Data Formats; SMILES
                      
Extraction of Atom Environments
===============================

The script *extract_atom_envs.py* extracts and outputs the structural environment of each atom
of the molecules read from the specified input file.

**Synopsis**

   :program:`python` *extract_atom_envs.py* <file>
         
**Code**

.. literalinclude:: /downloads/extract_atom_envs.py
   :language: python
   :linenos:
   :lines: 19-

:download:`Download source file</downloads/extract_atom_envs.py>`