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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 links

Key dates

PyPI data
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  • Released:
Latest release

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for rjdkmr from gravatar.com rjdkmr

Credits

Author: Rajendra Kumar

License

GNU General Public License v3 (GPLv3) (GNU General Public License v3 (GPLv3))

Tags

Molecular Modeling Chemoinformatics Computational Chemistry Computational Drug Design

Classifiers

Report project as malware

Metadata

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Latest release

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for rjdkmr from gravatar.com rjdkmr

Credits

Author: Rajendra Kumar

License

GNU General Public License v3 (GPLv3) (GNU General Public License v3 (GPLv3))

Tags

Molecular Modeling Chemoinformatics Computational Chemistry Computational Drug Design

Classifiers

Report project as malware

Release files for pyOBabel 0.1.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pyOBabel 0.1.1
File Size Uploaded
pyOBabel-0.1.1.tar.gz 21.9 kB Details

Built distributions (wheels)

Table of built distributions (wheels) for pyOBabel 0.1.1
File
pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl 10.2 MB CPython 3.7 CPython 3.7 pymalloc Linux glibc 2.5+ x86-64 Details
pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl 10.2 MB CPython 3.6 CPython 3.6 pymalloc Linux glibc 2.5+ x86-64 Details
pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl 2.9 MB CPython 3.6 CPython 3.6 pymalloc macOS 10.12+ x86-64 Details
pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl 10.2 MB CPython 3.5 CPython 3.5 pymalloc Linux glibc 2.5+ x86-64 Details
pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl 2.9 MB CPython 3.5 CPython 3.5 pymalloc macOS 10.12+ x86-64 Details
pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl 10.2 MB CPython 3.4 CPython 3.4 pymalloc Linux glibc 2.5+ x86-64 Details
pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl 2.9 MB CPython 3.4 CPython 3.4 pymalloc macOS 10.12+ x86-64 Details
pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl 10.2 MB CPython 2.7 CPython 2.7 pymalloc wide-unicode Linux glibc 2.5+ x86-64 Details
pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl 10.2 MB CPython 2.7 CPython 2.7 pymalloc Linux glibc 2.5+ x86-64 Details

Total release size: 69.8 MB

Release files / pyOBabel-0.1.1.tar.gz

Download URL pyOBabel-0.1.1.tar.gz
Size 21.9 kB
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Release files / pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl

Download URL pyOBabel-0.1.1-cp37-cp37m-manylinux1_x86_64.whl
Size 10.2 MB
Tags CPython 3.7 CPython 3.7 pymalloc Linux glibc 2.5+ x86-64
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Release files / pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl

Download URL pyOBabel-0.1.1-cp36-cp36m-manylinux1_x86_64.whl
Size 10.2 MB
Tags CPython 3.6 CPython 3.6 pymalloc Linux glibc 2.5+ x86-64
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Release files / pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl

Download URL pyOBabel-0.1.1-cp36-cp36m-macosx_10_12_x86_64.whl
Size 2.9 MB
Tags CPython 3.6 CPython 3.6 pymalloc macOS 10.12+ x86-64
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Release files / pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl

Download URL pyOBabel-0.1.1-cp35-cp35m-manylinux1_x86_64.whl
Size 10.2 MB
Tags CPython 3.5 CPython 3.5 pymalloc Linux glibc 2.5+ x86-64
SHA-256 checksum
How to use checksums 		fab3f6722410b2c67bebadbd719fd9c03002bd1b55533fb6bbab30e415ec0d5c
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Release files / pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl

Download URL pyOBabel-0.1.1-cp35-cp35m-macosx_10_12_x86_64.whl
Size 2.9 MB
Tags CPython 3.5 CPython 3.5 pymalloc macOS 10.12+ x86-64
SHA-256 checksum
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Release files / pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl

Download URL pyOBabel-0.1.1-cp34-cp34m-manylinux1_x86_64.whl
Size 10.2 MB
Tags CPython 3.4 CPython 3.4 pymalloc Linux glibc 2.5+ x86-64
SHA-256 checksum
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Release files / pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl

Download URL pyOBabel-0.1.1-cp34-cp34m-macosx_10_12_x86_64.whl
Size 2.9 MB
Tags CPython 3.4 CPython 3.4 pymalloc macOS 10.12+ x86-64
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Release files / pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl

Download URL pyOBabel-0.1.1-cp27-cp27mu-manylinux1_x86_64.whl
Size 10.2 MB
Tags CPython 2.7 CPython 2.7 pymalloc wide-unicode Linux glibc 2.5+ x86-64
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Release files / pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl

Download URL pyOBabel-0.1.1-cp27-cp27m-manylinux1_x86_64.whl
Size 10.2 MB
Tags CPython 2.7 CPython 2.7 pymalloc Linux glibc 2.5+ x86-64
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This release

0.1.1 This release

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