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/
Project details
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-0.0.2.tar.gz
(19.4 kB
view hashes)
Built Distribution
Close
Hashes for omolab_conf_analysis-0.0.2.tar.gz
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2956ab932e2d7931b604fb0b8fc2da2ae1f1898dc383b1ddfac92a7a155db0ee |
|
MD5 | 4f01a86aa390f4f00718fc4a59ae0f4d |
|
BLAKE2b-256 | 6a31dcbe694bb8fa1732d71349d828b9c72e8ba41c48c0be440bb55ce051776a |
Close
Hashes for omolab_conf_analysis-0.0.2-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | f0bc99e38d309d8b91af79ae6bed7c6b952dd994a519cd68af471db825597113 |
|
MD5 | 6b27b2ac8eb05f0f852c3fa876e3afba |
|
BLAKE2b-256 | e0ccc63ae8f9793e319d2c744c612b235bf99e6e87d55fa632aa95c86e6c9fa5 |