Tools for measuring and manipulating molecular structures
This Python implimentation of AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations.
These tools can be used either directly within a Python script using AaronTools objects, or via a series of command-line scripts.
See the Wiki for installation and usage.
A description of the Python AaronTools implementation is described in "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 2021).
A Perl implementation of AaronTools is also available here. However, users are strongly urged to use the Python version since it has far more powerful features and, unlike the Perl version, will continue to be developed and supported.
If you use the Python AaronTools, please cite: "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 2021)
If you have any questions, feel free to contact us at firstname.lastname@example.org
Release history Release notifications | RSS feed
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
|Filename, size||File type||Python version||Upload date||Hashes|
|Filename, size AaronTools-1.0b7-py3-none-any.whl (2.7 MB)||File type Wheel||Python version py3||Upload date||Hashes View|
|Filename, size AaronTools-1.0b7.tar.gz (2.5 MB)||File type Source||Python version None||Upload date||Hashes View|
Hashes for AaronTools-1.0b7-py3-none-any.whl