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-0.0.6.tar.gz
(25.9 kB
view hashes)
Built Distribution
Close
Hashes for omolab_conf_analysis-0.0.6.tar.gz
Algorithm | Hash digest | |
---|---|---|
SHA256 | 51c2732157bb38f7c2b67fb433e084b8f6f92df4c7b365f0a526bc7d8eb4ec76 |
|
MD5 | 687f80434d2e8964223f2fcc2bc5b038 |
|
BLAKE2b-256 | 260c0502cf1552d13a7221c7d75b6c4881d2be31de9d2f72d94dba06bef3e3d5 |
Close
Hashes for omolab_conf_analysis-0.0.6-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 3667662639e7982bc91b8238aee0c909509cb75ab6529bb77d139646cd033fbd |
|
MD5 | b3efed0b3e98c0e76cb6e3f742eafc88 |
|
BLAKE2b-256 | 121e278f1ef6bfba4163df31102db51c4b2a3ea75ce20b030999550f3ceec329 |