Metadata-Version: 1.2
Name: molgemtools
Version: 0.0.4
Summary: Tools for working with molecular geometry data.
Home-page: https://gitlab.com/d_attila/molgemtools.git
Author: Attila Dékány
Author-email: dekanyattilaadam@gmail.com
License: MIT
Project-URL: Documentation, https://d_attila.gitlab.io/molgemtools/
Project-URL: Source Code, https://gitlab.com/d_attila/molgemtools.git
Description: It provides:
        
            - opening molecular `.xyz` files
            - conversion between Cartesian and internal coordinate representations
            - molecular shape matching based on singular value decomposition
            - calculating atomic distances, bond angles and dihedral angles
            - calculating the principal moments of inertia
            - generating permuted geometries
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
