Ubuntu
rdkit package

rdkit 201106+dfsg-1build1 source package in Ubuntu

Changelog

rdkit (201106+dfsg-1build1) precise; urgency=low

  * No-change rebuild to drop spurious libsfgcc1 dependency on armhf.
 -- Adam Conrad <adconrad@0c3.net>   Fri, 02 Dec 2011 21:18:01 -0700

Upload details

Uploaded by:
Adam Conrad
Uploaded to:
Precise
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Low Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Precise release universe science

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File Size SHA-256 Checksum
rdkit_201106+dfsg.orig.tar.gz 9.3 MiB 82e1ce7183c0df08747f130ea14e458d2c677720d9deca5e096792a9cdb7b903
rdkit_201106+dfsg-1build1.debian.tar.gz 4.8 KiB 7bc726f42f8ab06b60f1c009154eb8c63c1e088d0a7617dd9e8f15b5daeb893b
rdkit_201106+dfsg-1build1.dsc 1.6 KiB b6addafa30b21beec31c36e7a5d5a69d44ceccfe5bf7d8500fde67350126f9a6

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Binary packages built by this source

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

No description available for librdkit-dev in ubuntu quantal.

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 descriptors
  * Fragmentation using RECAP rules
  * 2D coordinate generation and depiction
  * 3D coordinate generation using geometry embedding
  * UFF forcefield
  * Calculation of (R/S) stereochemistry codes
  * Pharmacophore searching
  * Calculation of shape similarity
  * Atom pairs and topological torsions fingerprints
  * Feature maps and feature-maps vectors
  * Machine-learning algorithms
  * Gasteiger-Marsili partial charge calculation
 .
 File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary
 format.
 .
 This package contains the shared libraries.

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

No description available for python-rdkit in ubuntu quantal.

rdkit-data: Collection of cheminformatics and machine-learning software (data files)

 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 descriptors
  * Fragmentation using RECAP rules
  * 2D coordinate generation and depiction
  * 3D coordinate generation using geometry embedding
  * UFF forcefield
  * Calculation of (R/S) stereochemistry codes
  * Pharmacophore searching
  * Calculation of shape similarity
  * Atom pairs and topological torsions fingerprints
  * Feature maps and feature-maps vectors
  * Machine-learning algorithms
  * Gasteiger-Marsili partial charge calculation
 .
 File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary
 format.
 .
 This package contains data files.

rdkit-doc: Collection of cheminformatics and machine-learning software (documentation)

 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 descriptors
  * Fragmentation using RECAP rules
  * 2D coordinate generation and depiction
  * 3D coordinate generation using geometry embedding
  * UFF forcefield
  * Calculation of (R/S) stereochemistry codes
  * Pharmacophore searching
  * Calculation of shape similarity
  * Atom pairs and topological torsions fingerprints
  * Feature maps and feature-maps vectors
  * Machine-learning algorithms
  * Gasteiger-Marsili partial charge calculation
 .
 File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary
 format.
 .
 This package contains the documentation.