Package: python-rdkit
Source: rdkit
Version: 201309-1
Architecture: i386
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 9602
Depends: fonts-freefont-ttf, python-numpy (>= 1:1.7-0~b1), rdkit-data, python-numpy-abi9, python (>= 2.7), python (<< 2.8), python:any (>= 2.7.1-0ubuntu2), libboost-python1.54.0, libboost-system1.54.0, libc6 (>= 2.4), libgcc1 (>= 1:4.1.1), libpython2.7 (>= 2.7), librdkit1, libstdc++6 (>= 4.6)
Suggests: rdkit-doc
Provides: python2.7-rdkit
Section: python
Priority: optional
Homepage: http://www.rdkit.org
Description: Collection of cheminformatics and machine-learning software
 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.
Python-Version: 2.7
