Metadata-Version: 2.1
Name: DuIvyTools
Version: 0.1.0
Summary: Some tools for GMX results analysis
Home-page: https://github.com/CharlesHahn/DuIvyTools
Author: CharlesHahn
Author-email: 
License: UNKNOWN
Download-URL: https://github.com/CharlesHahn/DuIvyTools
Description: # DuIvyTools
        
        DuIvyTools (DIT): A simple tool for analysis of GROMACS result files(.xvg, .xpm, .ndx, .mdp). 
        
        This tool can perform data visualization and convertion, and is able to cover daily tasks when analyzing results of molecular dynamics simulations by GROMACS. 
        
        ## Intro
        
        The usage of DIT is similar to GMX, type `dit` and followed by commands and parameters, like:
        
        ```bash
        dit xvg_show -f test.xvg
        ```
        
        ## Install
        
        This tool is a python library which you can install it by `pip`.
        
        ## Commands
        
        This tool contains quite a lot commands.
        
        For .xvg file:
            - xvg_show
            - xvg_compare
            - xvg_ave
            - xvg_mvave
            - xvg2csv
            - xvg_rama
            - xvg_show_distribution
            - xvg_show_stack
            - xvg_show_scatter
            - xvg_energy_compute
            - xvg_combine
            - xvg_ave_bar
            - xvg_box
        
        For .xpm file:
            - xpm_show
            - xpm2csv
            - xpm2gpl
            - xpm_combine (not recommand to use it)
        
        For .ndx file:
            - still working on these
        
        For .mdp file:
            - still working on these
        
        ## Cite 
        
        pass
        
Platform: cross-platform
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: GNU General Public License v2 (GPLv2)
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Description-Content-Type: text/markdown
Provides-Extra: test
