Conformational Analysis
Conformational analysis of XYZ-files
What this program can do
- Read in XYZ-files and calculate distances, angles and dihedrals based of 3D coordinates
- Incorporation of PCA and Clustering to reduce data dimensions and classify XYZ file conformational families
- Create folder path and directories containing XYZ-files based on conformational family
Installation
Run the following to install:
# PyPi
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/
1 maintainer
Metadata
1 maintainer
Release files for omolab-conf-analysis 0.1.11
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| omolab_conf_analysis-0.1.11.tar.gz | 28.6 kB | Without provenance | Details for omolab_conf_analysis-0.1.11.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| omolab_conf_analysis-0.1.11-py3-none-any.whl | Python 3 | none | any | Details for omolab_conf_analysis-0.1.11-py3-none-any.whl |
Total release size: 59.0 kB
Release files / omolab_conf_analysis-0.1.11.tar.gz
| Download URL | omolab_conf_analysis-0.1.11.tar.gz |
|---|---|
| Size | 28.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
d379712729be8dd1e2f38731d6a9c6033e1aae8792a06e9f0d6b8d4e265651ef
|
|
BLAKE2b-256 checksum How to use checksums |
ba2096cde1f06731ca50e951abe5ff7c7d0e1f8561adb8c477968e4c1fc81a32
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/3.4.1 importlib_metadata/4.0.1 pkginfo/1.7.0 requests/2.24.0 requests-toolbelt/0.9.1 tqdm/4.49.0 CPython/3.8.5
|
Release files / omolab_conf_analysis-0.1.11-py3-none-any.whl
| Download URL | omolab_conf_analysis-0.1.11-py3-none-any.whl |
|---|---|
| Size | 30.4 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
7579263d144ac0ffde84f4830107cdf09138df8e05e8ab0be9d655c748ae3a68
|
|
BLAKE2b-256 checksum How to use checksums |
98734ce94deea412fc406349872b4c60596ccf6a2de0c8fac1cb6a1b91321240
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/3.4.1 importlib_metadata/4.0.1 pkginfo/1.7.0 requests/2.24.0 requests-toolbelt/0.9.1 tqdm/4.49.0 CPython/3.8.5
|
Security for omolab-conf-analysis 0.1.11
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
No provenance found
None of the files in this release were uploaded with provenance metadata.
A note on package security
PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.
To learn more about protecting yourself from malicious actors, visit our package security documentation.
