Uses PCA and K-means clustering to separate conformational ensembles. (xyz-files only)

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Project description

Conformational_Analysis

Conformational Analysis; Conformational Families

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

In command line

mGenerate_Conf_Analysis

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

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This version

0.0.1

Apr 30, 2021

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Uploaded Apr 30, 2021 Source

Uploaded Apr 30, 2021 Python 3

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