A python binding to openbabel chemical toolbox (http://openbabel.org)

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for rjdkmr from gravatar.com rjdkmr

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: GNU General Public License v3 (GPLv3) (GNU General Public License v3 (GPLv3))
  • Author: Rajendra Kumar
  • Tags Molecular Modeling, Chemoinformatics, Computational Chemistry, Computational Drug Design
Classifiers

Project description

https://travis-ci.org/rjdkmr/pyOBabel.svg?branch=master

pyOBabel

It is a Python interface for openbabel chemical toolbox.

It is not the official Python interface of openbabel and may lack many functionality of openbabel. If you are looking for official Python, Please follow this link.

Why another Python interface

The official Python interface to openbabel was built using SWIG. However, I used pybind11 to built the Python interface. It gives flexibility in building Python interface such that the obtained Python interface can be used in pythonic way.

Please cite the original publication of the openbabel:

# O’Boyle et al (2011) # Open Babel: An open chemical toolbox # Journal of Cheminformatics 2011 3:33 # https://doi.org/10.1186/1758-2946-3-33 .

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for rjdkmr from gravatar.com rjdkmr

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: GNU General Public License v3 (GPLv3) (GNU General Public License v3 (GPLv3))
  • Author: Rajendra Kumar
  • Tags Molecular Modeling, Chemoinformatics, Computational Chemistry, Computational Drug Design
Classifiers

Release history Release notifications | RSS feed

This version

0.1.1

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

pyOBabel-0.1.1.tar.gz (21.9 kB view details)

Uploaded Source

Built Distributions

pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl (10.2 MB view details)

Uploaded CPython 3.7m

pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl (10.2 MB view details)

Uploaded CPython 3.6m

pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl (2.9 MB view details)

Uploaded CPython 3.6m macOS 10.12+ x86-64

pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl (10.2 MB view details)

Uploaded CPython 3.5m

pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl (2.9 MB view details)

Uploaded CPython 3.5m macOS 10.12+ x86-64

pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl (10.2 MB view details)

Uploaded CPython 3.4m

pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl (2.9 MB view details)

Uploaded CPython 3.4m macOS 10.12+ x86-64

pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl (10.2 MB view details)

Uploaded CPython 2.7mu

pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl (10.2 MB view details)

Uploaded CPython 2.7m

File details

Details for the file pyOBabel-0.1.1.tar.gz.

File metadata

  • Download URL: pyOBabel-0.1.1.tar.gz
  • Upload date:
  • Size: 21.9 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.9.1 pkginfo/1.4.1 requests/2.9.1 setuptools/20.7.0 requests-toolbelt/0.8.0 tqdm/4.19.5 CPython/3.5.2

File hashes

Hashes for pyOBabel-0.1.1.tar.gz
Algorithm Hash digest
SHA256 846f91d54df0f9de37400bc1a2e9588f5270dbab244bd3501ae99b2d67b6ad80
MD5 d0c3a08333253e599ef4348a0b13e1b6
BLAKE2b-256 6a4bba59f0ce82b716e540782857f7b8dc3c005a7aa1c90c527448249ac6f819

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 10.2 MB
  • Tags: CPython 3.7m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/38.2.4 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.3

File hashes

Hashes for pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 2740e6c2b1842d087035026449b8f7a41ca4310871b47bce275ef393c5438e01
MD5 b80966d0c22c41990eb652fe895bd1ef
BLAKE2b-256 7cb1e07d0360e519ed38ca5581a4250a412ad890ad2cecb1749ecd8eef333245

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 10.2 MB
  • Tags: CPython 3.6m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/38.2.4 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.3

File hashes

Hashes for pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 ae6c89b5d88b384df262887b6910db211d72af4664b4ec9a8d66c249ea222aeb
MD5 50935ebc24ce1a16f70839d6178e8696
BLAKE2b-256 e61e710934551f3c5069f22ea8efc15976e166051095c4a167af7489548a1eac

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.9 MB
  • Tags: CPython 3.6m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/39.0.1 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.6rc1

File hashes

Hashes for pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 5bcc35f6220f7c3d9987e405757343a1599444a8a45ceef826879b5917f7a9af
MD5 1aeb724f7894aafebde827e083439f3d
BLAKE2b-256 da5fe8623efefbfb13ceec5759cb871987b4c47272aace21eea75887fed6288b

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 10.2 MB
  • Tags: CPython 3.5m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/38.2.4 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.3

File hashes

Hashes for pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 fab3f6722410b2c67bebadbd719fd9c03002bd1b55533fb6bbab30e415ec0d5c
MD5 01e6210a40589f20d5379e64be48efc0
BLAKE2b-256 427d0b3efbea65bc3f653b3d611e9fafdf4ddbff69506cf7c86c4b525209f0c2

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.9 MB
  • Tags: CPython 3.5m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/28.8.0 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.5.5

File hashes

Hashes for pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 4e3b7a6323b2a12b85eb8aae10905aae378a55178f97eab3961ccbc8c5b0076d
MD5 fe9e0cef8ddb2d4515120f48a6d5001b
BLAKE2b-256 6f1a395685d3bfd36760597f9cdcddf5a3c4016be3c5c14387ce126462b1f8f2

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 10.2 MB
  • Tags: CPython 3.4m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/38.2.4 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.3

File hashes

Hashes for pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 5690290be6159ea45d1fb8571a6379d5cc7005c6ca770e1d02c8ce2bad356bfd
MD5 3faf0af64eb89fd5b96f44ada05f279a
BLAKE2b-256 6600a4670f592a5b2a7e9ccb7fb4bd978e724ed1065930bd7bfc481d6f8077b2

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.9 MB
  • Tags: CPython 3.4m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/28.8.0 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.4.8

File hashes

Hashes for pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 a0318ee5758c2ed348e80128761f56389d9dcc0df750263e14284d76e54b0f24
MD5 b5cec267fe5e98fdefe889042f02c43b
BLAKE2b-256 8daccf52b72ef411237fcdeaf260f7816167d424b7166c329ff1efa8c8161663

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl
  • Upload date:
  • Size: 10.2 MB
  • Tags: CPython 2.7mu
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/38.2.4 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.3

File hashes

Hashes for pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 ba2bc9c1f120694cd08b7bd11ca1995d245971f78632c95c8cb1ff5644f1a073
MD5 c47f8e51777e5a36639f554638d6fb7d
BLAKE2b-256 8fb9770a8550c2ad9b785c05f9b66118caffd1f3a2eef5930a63efbe53d93cb1

See more details on using hashes here.

File details

Details for the file pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl.

File metadata

  • Download URL: pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 10.2 MB
  • Tags: CPython 2.7m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/38.2.4 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.3

File hashes

Hashes for pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 844989ce01d88fec774054c0f34bfc8c1e429e27975bbe3f5bc90703ac1935f2
MD5 8a45174a8b811a84c4e3c222806fd38b
BLAKE2b-256 10e06f64675d0055a8677e1c1824cbd456f47a0d6348a1c6c1aa4a81be9d9bad

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page