Uses PCA and K-means clustering to separate conformational ensembles. (xyz-files only)
Project description
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/
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
omolab_conf_analysis-0.1.2.tar.gz
(24.0 kB
view hashes)
Built Distribution
Close
Hashes for omolab_conf_analysis-0.1.2.tar.gz
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | fb5315b68c435245f81b8c9822932ce5fa158fcd681e144922b9bae428f5b722 |
|
| MD5 | f0e25f893dda0a38a925a67580dc1a81 |
|
| BLAKE2b-256 | 0d9d1ce6a13f173feb2d15e06b602571a56b74318ebb5958f9e1168f5942053c |
Close
Hashes for omolab_conf_analysis-0.1.2-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 53ecc6df7c72b2b51f08c8bd32ce28a8d90dcec4a7c3915e921d0f345b351387 |
|
| MD5 | 49d39fbef41f05ee6bfffed86bbba455 |
|
| BLAKE2b-256 | 8742a7a04e317bd3b0b14f7ec0ddeddc90354b667c85a9fd5badc1d3f2798b25 |
