Metadata-Version: 2.1
Name: omolab-conf-analysis
Version: 0.1.6
Summary: Uses PCA and K-means clustering to separate conformational ensembles. (xyz-files only)
Home-page: https://github.com/mattnw1/Conformational_Analysis
Author: Matthew Nwerem
Author-email: nwere100@mail.chapman.edu
License: UNKNOWN
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 2
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: MacOS X
Classifier: Framework :: Matplotlib
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: Free For Educational Use
Classifier: License :: Free For Home Use
Classifier: License :: Free for non-commercial use
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS
Classifier: Operating System :: Microsoft :: Windows
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Description-Content-Type: text/markdown
Requires-Dist: matplotlib (>=3.3.2)
Requires-Dist: numpy (>=1.18.5)
Requires-Dist: pandas (>=1.1.2)
Requires-Dist: plotly (>=4.5.0)
Requires-Dist: pca (>=1.3.0)
Requires-Dist: pkginfo (>=1.7.0)
Requires-Dist: scikit-learn (>=0.23.2)
Requires-Dist: scipy (>=1.4.1)
Requires-Dist: sklearn (>=0.0)
Requires-Dist: wget (>=3.2)

# Conformational_Analysis


Conformational Analysis; Conformational Families


## Installation
Run the following to install:
'''python
pip install omolab_conf_analysis
'''

## Usage
####In your own python file

import ConformationalAnalysis

test1 = ConformationalAnalysis()

####In command line (not working yet; soon!)

mGenerate_Conf_Analysis

## Authors
Created by OMOLAB

Property of Matthew Nwerem, MS and O. Maduka Ogba, PhD   
https://madukaogba.com/


