A python wrapper around bacting

These details have not been verified by PyPI

Project description

pybacting

PyPI - License PyPI - Python Version

Python wrapper around bacting.

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"))

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 .

Algorithm	Hash digest
SHA256	`23c9b2157fcdadce10e528fa780f6ec6851eff80e65dac8863879c7436da0fc9`
MD5	`c561d22beda527aafb8f69f9af6bf8d0`
BLAKE2b-256	`39d7151fa29787f35255d62cd2fbee1e4dc4f87a972e6898b10f6a14c6f66432`

Algorithm	Hash digest
SHA256	`5c5c2a24dbc593902bf223a0fbddd274ae78a1ce39ee554a826896fdd0c5005b`
MD5	`645010f17d923f5c14b12c3b19213331`
BLAKE2b-256	`41a9bd086a7ab49f9abdcd8b3706a85a90d52c896ff766b29d6417df07516b93`