A python wrapper around Bacting
Project description
pybacting
Python wrapper around Bacting.
Usage
Based on the example from the Bacting page, you can do:
from pybacting import cdk
print(cdk.fromSMILES("COC"))
Or you can use some of the more pythonic functions that wrap the functions
exposed through the pybacting.cdk object:
import pybacting
print(pybacting.from_smiles("COC"))
Installation
Before installing, you'll need to make sure Maven (mvn) is available on your
path. If you're on mac, use brew install maven.
$ pip install pybacting
Install the latest code from GitHub:
$ pip install git+https://github.com/cthoyt/pybacting
Download and install from source in development mode:
$ git clone https://github.com/cthoyt/pybacting
$ cd pybacting
$ pip install --editable .
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
pybacting-0.2.8.tar.gz
(11.5 kB
view details)
Built Distribution
File details
Details for the file pybacting-0.2.8.tar.gz.
File metadata
- Download URL: pybacting-0.2.8.tar.gz
- Upload date:
- Size: 11.5 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.8.0 pkginfo/1.8.2 readme-renderer/34.0 requests/2.27.1 requests-toolbelt/0.9.1 urllib3/1.26.9 tqdm/4.63.1 importlib-metadata/4.11.3 keyring/23.5.0 rfc3986/2.0.0 colorama/0.4.4 CPython/3.9.10
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 9c94290ee1c66774f1674921d91a209d63d16d115aa2c7f6686fe82e89618f3f |
|
| MD5 | c674b8c0933fc3a68be6b271aaca65a1 |
|
| BLAKE2b-256 | becdb08800f709c914e2a39150a94844059c07d1c84d66d66b19edd809669d50 |
Provenance
File details
Details for the file pybacting-0.2.8-py3-none-any.whl.
File metadata
- Download URL: pybacting-0.2.8-py3-none-any.whl
- Upload date:
- Size: 6.7 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.8.0 pkginfo/1.8.2 readme-renderer/34.0 requests/2.27.1 requests-toolbelt/0.9.1 urllib3/1.26.9 tqdm/4.63.1 importlib-metadata/4.11.3 keyring/23.5.0 rfc3986/2.0.0 colorama/0.4.4 CPython/3.9.10
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | bde22982ff007e50d19397527499c58838d26235628fb3484a344ef57230ff3a |
|
| MD5 | ba32296b21cf2a01a8aec3993e41d8eb |
|
| BLAKE2b-256 | f9e5e925dd04d0a9438771efdb7b3effe783afcac0b36c94fd97c06cd052e0cd |
