A ligand parameterization package for Amber
Project description
Ligand Parametrization
Overview
This is a Python package designed to provide a simple workflow for ligand parameterization. It automates many of the key features encountered by users, including...
Documentation
The online documentation is located here: https://ligandparam.readthedocs.io/en/latest/
Developing
Releasing a new version
- update
versionatpyproject.toml. Eg:0.3.2 - Add and commit the change. Then tag the commit:
git tag 0.3.2 git push origin --tags
gitlab's CI/CD will publish the new version automatically
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file ligandparam-0.3.6.tar.gz.
File metadata
- Download URL: ligandparam-0.3.6.tar.gz
- Upload date:
- Size: 90.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: uv/0.5.31
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
41e209c65ee0450d1f0a60e9ba53d67d02ee5628674c54f82798ddcbc98ce796
|
|
| MD5 |
3907537f4bcf912550b92a47e0f9fa06
|
|
| BLAKE2b-256 |
00a68ba79c5f158a3770debd4caba9739e42443c134982c893732883f317127c
|
File details
Details for the file ligandparam-0.3.6-py3-none-any.whl.
File metadata
- Download URL: ligandparam-0.3.6-py3-none-any.whl
- Upload date:
- Size: 129.3 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: uv/0.5.31
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
2f26bcdb03a1fdfa969c74cd524afe1abd8099d91d9cca97a011bacf68ec63cf
|
|
| MD5 |
ad7376a3eb03df7949a3988e654bbacf
|
|
| BLAKE2b-256 |
7056cc82a6e2d988e2fc734ef72e56ce98895b9a2bc4c245a573e4949359396c
|
