python-chemfp_1.1p1-2.1_amd64.deb


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Description

python-chemfp - cheminformatics fingerprints file formats and tools

Property Value
Distribution Ubuntu 16.04 LTS (Xenial Xerus)
Repository Ubuntu Universe amd64
Package name python-chemfp
Package version 1.1p1
Package release 2.1
Package architecture amd64
Package type deb
Installed size 793 B
Download size 155.69 KB
Official Mirror archive.ubuntu.com
Chem-fingerprints is a set of formats and related tools for the storage,
exchange, and search of cheminformatics fingerprint data sets.
It translates fingerprints from the OpenBabel and RDKIT and
cheminformatics packages (as well as the proprietary OEChem package)
into the binary FPS format.
Besides Python modules, it provides the following tools:
* sdf2fps - Extract fingerprint data from SD tags
* ob2fps - Use OpenBabel to generate fingerprints from structures
* rdkit2fps - Use RDKit to generate fingerprints from structures
* oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures
* simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches
between two FPS files

Alternatives

Package Version Architecture Repository
python-chemfp_1.1p1-2.1_i386.deb 1.1p1 i386 Ubuntu Universe
python-chemfp - - -

Requires

Name Value
libc6 >= 2.14
libgomp1 >= 4.9
python << 2.8
python >= 2.7

Provides

Name Value
python2.7-chemfp -

Download

Type URL
Binary Package python-chemfp_1.1p1-2.1_amd64.deb
Source Package chemfp

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install python-chemfp deb package:
    # sudo apt-get install python-chemfp

Files

Path
/usr/bin/ob2fps
/usr/bin/oe2fps
/usr/bin/rdkit2fps
/usr/bin/sdf2fps
/usr/bin/simsearch
/usr/lib/python2.7/dist-packages/_chemfp.so
/usr/lib/python2.7/dist-packages/chemfp-1.1p1.egg-info
/usr/lib/python2.7/dist-packages/chemfp/Watcher.py
/usr/lib/python2.7/dist-packages/chemfp/__init__.py
/usr/lib/python2.7/dist-packages/chemfp/arena.py
/usr/lib/python2.7/dist-packages/chemfp/argparse.py
/usr/lib/python2.7/dist-packages/chemfp/bitops.py
/usr/lib/python2.7/dist-packages/chemfp/decoders.py
/usr/lib/python2.7/dist-packages/chemfp/encodings.py
/usr/lib/python2.7/dist-packages/chemfp/error_handlers.py
/usr/lib/python2.7/dist-packages/chemfp/fps_io.py
/usr/lib/python2.7/dist-packages/chemfp/fps_search.py
/usr/lib/python2.7/dist-packages/chemfp/io.py
/usr/lib/python2.7/dist-packages/chemfp/openbabel.py
/usr/lib/python2.7/dist-packages/chemfp/openbabel_patterns.py
/usr/lib/python2.7/dist-packages/chemfp/openeye.py
/usr/lib/python2.7/dist-packages/chemfp/openeye_patterns.py
/usr/lib/python2.7/dist-packages/chemfp/pattern_fingerprinter.py
/usr/lib/python2.7/dist-packages/chemfp/rdkit.py
/usr/lib/python2.7/dist-packages/chemfp/rdkit_patterns.py
/usr/lib/python2.7/dist-packages/chemfp/rdmaccs.patterns
/usr/lib/python2.7/dist-packages/chemfp/sdf_reader.py
/usr/lib/python2.7/dist-packages/chemfp/search.py
/usr/lib/python2.7/dist-packages/chemfp/slow.py
/usr/lib/python2.7/dist-packages/chemfp/substruct.patterns
/usr/lib/python2.7/dist-packages/chemfp/types.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/__init__.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/cmdsupport.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/fpsmerge.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/ob2fps.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/oe2fps.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/rdkit2fps.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/sdf2fps.py
/usr/lib/python2.7/dist-packages/chemfp/commandline/simsearch.py
/usr/lib/python2.7/dist-packages/chemfp/futures/__init__.py
/usr/lib/python2.7/dist-packages/chemfp/futures/_base.py
/usr/lib/python2.7/dist-packages/chemfp/futures/_compat.py
/usr/lib/python2.7/dist-packages/chemfp/futures/process.py
/usr/lib/python2.7/dist-packages/chemfp/futures/thread.py
/usr/lib/python2.7/dist-packages/chemfp/progressbar/__init__.py
/usr/lib/python2.7/dist-packages/chemfp/progressbar/compat.py
/usr/lib/python2.7/dist-packages/chemfp/progressbar/widgets.py
/usr/share/doc/python-chemfp/README
/usr/share/doc/python-chemfp/changelog.Debian.gz
/usr/share/doc/python-chemfp/copyright
/usr/share/man/man1/ob2fps.1.gz
/usr/share/man/man1/rdkit2fps.1.gz
/usr/share/man/man1/sdf2fps.1.gz
/usr/share/man/man1/simsearch.1.gz

Changelog

2014-11-14 - Andrey Rahmatullin <wrar@debian.org>
chemfp (1.1p1-2.1) unstable; urgency=medium
* Non-maintainer upload.
* Drop unnecessary build dependency on python-unit (Closes: #768703).
2013-05-30 - Debichem Team <debichem-devel@lists.alioth.debian.org>
chemfp (1.1p1-2) unstable; urgency=low
[ Daniel Leidert ]
* debian/rules (override_dh_auto_build): Disable -mssse3 flag on
architectures that don't support it to fix FTBFS.
2013-05-27 - Debichem Team <debichem-devel@lists.alioth.debian.org>
chemfp (1.1p1-1) unstable; urgency=low
* New upstream release (Closes: #702389).
[ Daniel Leidert ]
* debian/control: Added Provides field.
(Build-Depends): Added python-unit and versioned python-all-dev.
(Standards-Version): Bumped to 3.9.4.
(Description): Minor improvements.
* debian/copyright: Updated.
* debian/*.1: Updated by help2man.
* debian/rules: Enable tests (passing tests is allowed to fail).
Enable hardening.
* debian/watch: Added.
2012-06-08 - Michael Banck <mbanck@debian.org>
chemfp (1.0-1) unstable; urgency=low
* Initial release (Closes: #676658).

See Also

Package Description
python-chemps2_1.6-3_amd64.deb Python 2 interface for libchemps2-1
python-cherrypy3_3.5.0-2build1_all.deb Python web development framework - version 3
python-cherrypy_2.3.0-5_all.deb Python web development framework
python-chm_0.8.4.1-1_amd64.deb Python binding for CHMLIB
python-cigi_3.3.3a+svn818-10ubuntu1_amd64.deb Python bindings for the CIGI class library
python-cinfony_1.2-1_all.deb Python abstraction layer to cheminformatics toolkits
python-circuits-doc_3.1.0+ds1-1_all.deb event-driven framework with a component architecture (Documentation)
python-circuits_3.1.0+ds1-1_all.deb event-driven framework with a component architecture
python-citeproc_0.3.0-1_all.deb Citation Style Language (CSL) processor for Python
python-cjson_1.1.0-2_amd64.deb Very fast JSON encoder/decoder for Python
python-ckanclient_0.9-1.1_amd64.deb CKAN client Python package
python-clang-3.5_3.5.2-3ubuntu1_amd64.deb Clang Python Bindings
python-clang-3.6_3.6.2-3ubuntu2_amd64.deb Clang Python Bindings
python-clang-3.7_3.7.1-2ubuntu2_amd64.deb Clang Python Bindings
python-clang-3.8_3.8-2ubuntu1_amd64.deb Clang Python Bindings
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