HGAna: Analysis Tool for Host-Guest Binding
Documentation
Online documentation is available at ajax23.github.io/HGAna.
The docs include an example for analyzing binding affinity for cyclodextrin simulations and an API reference.
Dependencies
HGAna supports Python 3.5+.
Installation requires numpy, pandas and seaborn.
Installation
You may instead want to use the development version from GitHub:
pip install git+https://github.com/ajax23/HGAna.git#egg=hgana
pip install git+https://github.com/ajax23/HGAna.git@develop#egg=hgana
Or download the repository and install in the top directory via:
pip install .
Testing
To test HGAna, run the test in the test directory.
Development
HGAna development takes place on Github: www.github.com/Ajax23/HGAna
Please submit any reproducible bugs you encounter to the issue tracker.
How to Cite HGAna
When citing HGAna please use the current Zenodo DOI corresponding to the used HGAna version. (Current DOI is listed in the badges.)
1 maintainer
Metadata
1 maintainer
Release files for hgana 0.1.0
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 | |
|---|---|---|---|---|
| hgana-0.1.0.tar.gz | 16.7 kB | Without provenance | Details |
Release files / hgana-0.1.0.tar.gz
| Download URL | hgana-0.1.0.tar.gz |
|---|---|
| Size | 16.7 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
abca1cecea0efb1fdd258503adfeabe3fca7b0052b180303c6129e4e18817336
|
|
BLAKE2b-256 checksum How to use checksums |
10bfae4eaf2409d7a9a619d77e3b7c9616f6f55ab25883f4e8d3b8cdff1a9664
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/3.2.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/46.3.0 requests-toolbelt/0.9.1 tqdm/4.42.1 CPython/3.7.6
|
Security for hgana 0.1.0
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.
