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-0.1.5.tar.gz
(26.0 kB
view hashes)
Built Distribution
Close
Hashes for omolab_conf_analysis-0.1.5.tar.gz
Algorithm | Hash digest | |
---|---|---|
SHA256 | 3faca2c438eaa025a2499d4cbdb06b60c5ea8957c8f19d6a6fa94336c5cf4e43 |
|
MD5 | a0f5ddc964ffac06d78affc7b034ebd5 |
|
BLAKE2b-256 | 137da22254d03c3190e22bfd0541683db3c6df1ab90eea18088b88955ac4a2e2 |
Close
Hashes for omolab_conf_analysis-0.1.5-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 239abe41463883604a3ef51198155a6e3bbc2818f7f76645a297f05ac6236118 |
|
MD5 | 9d136ff0808961f11bf0fc8a79c0f942 |
|
BLAKE2b-256 | 0fcc68bfde7abc118f39ab3242428795bfbdb3c7bf484a94755811784ba94371 |