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-0.2.9.tar.gz
(10.7 kB
view details)
Built Distribution
File details
Details for the file pybacting-0.2.9.tar.gz.
File metadata
- Download URL: pybacting-0.2.9.tar.gz
- Upload date:
- Size: 10.7 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.1 CPython/3.9.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 38940b2bed564b52bc446b5fcf1ef7e136d1a9689ad42800726bd714392e5a67 |
|
| MD5 | 124c4dc0858dadb8bb12a92e859f8ceb |
|
| BLAKE2b-256 | 4d1e9b3f45289eb1e44b6a18187c949dba2c8f71cb4f7802a0494890051b848f |
Provenance
File details
Details for the file pybacting-0.2.9-py3-none-any.whl.
File metadata
- Download URL: pybacting-0.2.9-py3-none-any.whl
- Upload date:
- Size: 6.7 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.1 CPython/3.9.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 10dff231b117a7bb7bdd559ac563d6346320579fa9ff12784f2320230593528c |
|
| MD5 | 92b2f2187bc1435d6e34fe70e482af58 |
|
| BLAKE2b-256 | 8d75715f31ecedf2f6b17c74af71ccb1ea9afe3a63e1fc6b3c5a6f119c2e811a |
