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-0.0.3.tar.gz
(19.5 kB
view hashes)
Built Distribution
Close
Hashes for omolab_conf_analysis-0.0.3.tar.gz
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4cafc59061c78e07146e00c3f56e53cc9556f892a36b69c9511a034a73a73247 |
|
MD5 | 8cd706546836ae2978d43841b7915684 |
|
BLAKE2b-256 | e3470464ef835a979277a119e5de11fbb200b0305f333c97fbc9b87bf2260f25 |
Close
Hashes for omolab_conf_analysis-0.0.3-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 437b0bdcf9506f9c4ded263a21031ce51c38f7b28f79f3bc3a985716067ac7f9 |
|
MD5 | 129a8054e8214759d1f2844096b20743 |
|
BLAKE2b-256 | 98c7405a951f3637963a84d8ede20cbd148150110cb22671833bbed25bc5d5a2 |