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-0.2.12.tar.gz
(10.9 kB
view hashes)
Built Distribution
Close
Hashes for pybacting-0.2.12-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 493dd9cce5f95f986d0b2a3267caafd4b1bc3337fa685a5821cf55fdadee3c3c |
|
| MD5 | 75241661fc82d8faad6bd89bc869c2fb |
|
| BLAKE2b-256 | 265e646139cc02438846f88474d6e3e93cf24e06cb21f3d6bfc657bcd57e949f |
