Description:

omolabconfanalysis 0.1.11

Conformational Analysis




Conformational analysis of XYZ-files
What this program can do

Read in XYZ-files and calculate distances, angles and dihedrals based of 3D coordinates
Incorporation of PCA and Clustering to reduce data dimensions and classify XYZ file conformational families
Create folder path and directories containing XYZ-files based on conformational family

Installation
Run the following to install:
# PyPi
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/

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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