Ubuntu
rdkit package

rdkit 201603.5+dfsg-1ubuntu1 source package in Ubuntu

Changelog

rdkit (201603.5+dfsg-1ubuntu1) bionic; urgency=medium

  * Fix build with glibc 2.26
  * Fix build with boost 1.65

 -- Graham Inggs <email address hidden>  Thu, 01 Feb 2018 16:13:01 +0000

Upload details

Uploaded by:
Graham Inggs
Uploaded to:
Bionic
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Bionic release universe science

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File Size SHA-256 Checksum
rdkit_201603.5+dfsg.orig.tar.xz 21.6 MiB 698d6dd6be27c87923c1c77a3bc491c58ee98832c3cf07f576c87c5fbfb58b1c
rdkit_201603.5+dfsg-1ubuntu1.debian.tar.xz 9.1 KiB e06c2734c6f9bb60510788bcbc626c170041466caa0cf699cb2d85d41028d250
rdkit_201603.5+dfsg-1ubuntu1.dsc 2.6 KiB 8528ad787e254740616749b4c4019ef59bc94f18e4a1e44c35bf65df829ae2f3

View changes file

Binary packages built by this source

librdkit-dev: No summary available for librdkit-dev in ubuntu disco.

No description available for librdkit-dev in ubuntu disco.

librdkit1: Collection of cheminformatics and machine-learning software (shared libraries)

 RDKit is a Python/C++ based cheminformatics and machine-learning software
 environment. Features Include:
 .
  * Chemical reaction handling and transforms
  * Substructure searching with SMARTS
  * Canonical SMILES
  * Molecule-molecule alignment
  * Large number of molecular descriptors, including topological,
    compositional, EState, SlogP/SMR, VSA and Feature-map vectors
  * Fragmentation using RECAP rules
  * 2D coordinate generation and depiction, including constrained depiction
  * 3D coordinate generation using geometry embedding
  * UFF and MMFF94 forcefields
  * Chirality support, including calculation of (R/S) stereochemistry codes
  * 2D pharmacophore searching
  * Fingerprinting, including Daylight-like, atom pairs, topological
    torsions, Morgan alogrithm and MACCS keys
  * Calculation of shape similarity
  * Multi-molecule maximum common substructure
  * Machine-learning via clustering and information theory algorithms
  * Gasteiger-Marsili partial charge calculation
 .
 File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit
 binary format.
 .
 This package contains the shared libraries.

librdkit1-dbgsym: No summary available for librdkit1-dbgsym in ubuntu cosmic.

No description available for librdkit1-dbgsym in ubuntu cosmic.

python-rdkit: No summary available for python-rdkit in ubuntu disco.

No description available for python-rdkit in ubuntu disco.

python-rdkit-dbgsym: debug symbols for python-rdkit
rdkit-data: Collection of cheminformatics and machine-learning software (data files)

 RDKit is a Python/C++ based cheminformatics and machine-learning software
 environment.
 .
 This package contains data files.

rdkit-doc: No summary available for rdkit-doc in ubuntu cosmic.

No description available for rdkit-doc in ubuntu cosmic.