Metadata-Version: 1.2
Name: mechaSVG
Version: 0.0.7
Summary: mechaSVG is a python & tk application for creating good-looking energy profile diagrams as Scalable Vector Graphics.
Home-page: https://github.com/ricalmang/mechaSVG
Author: Ricardo Almir Angnes
Author-email: ricardo_almir@hotmail.com
License: MIT
Description: # mechaSVG
        
        mechaSVG is a python & tk application for creating good-looking energy profile diagrams as *Scalable Vector Graphics* or **'.svg'** files with various aesthetic options. The produced graphics can also be easily edited afterwards via an svg editor like Inkscape. Extra analysis for catalytic cycle diagrams include: Finding energy span, Turn Over Frequency (TOF) estimation from both energy span and *catalytic-flux law*, and estimating degree of TOF control of both intermediates and transition states.Â¹\
        
        ## Latest updates
        â€“Various graph styles and personalization options added.\
        â€“Make energy comparisons betwen structures.\
        â€“Plot up to 30 structures 2D PES (Potential Energy Surface).\
        â€“Slight modifications to the user interface.\
        â€“Support for ".txt" and ".xlsx" imports and exports added. Please refer to section "**Importing .txt and .xlsx**" for information about importing these file types.
        
        ## Installing & Running
        
        The recommended installaion requires python 3.6 or above.
        
        Installation can be done via:
        ```bash
        python3 -m pip install mechasvg
        ```
        The program can be run via:
        ```bash
        python3 -m mechasvg
        ```
        Upgrading from older versions can be done via:
        ```bash
        python3 -m pip install -U mechasvg
        ```
        
        ## How to cite
        
        I don't actually require users to cite the software at all, so you can take any liberty in how or whether you cite it. However, a citation would greatly help to spread the visibility and adoption of this project which is my main goal.
        
        If you intend to cite it, the following citation should suffice:
        
        Angnes, R. A. mechaSVG, GitHub repository, 2020, doi: 10.5281/zenodo.3970267.
        
        ## Acknowledgments
        
        This project was funded by SÃ£o Paulo Research Foundation (FAPESP) under grant 2019/02052-4.
        
        
Keywords: chemistry
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
