Package: python-rdkit
Source: rdkit
Version: 201503-3
Architecture: amd64
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 33510
Depends: fonts-freefont-ttf, rdkit-data, python (<< 2.8), python (>= 2.7~), python-numpy (>= 1:1.8.0), python-numpy-abi9, python:any (>= 2.7.5-5~), libboost-python1.58.0, libboost-system1.58.0, libboost-thread1.58.0, libc6 (>= 2.14), libgcc1 (>= 1:4.1.1), libpython2.7 (>= 2.7), librdkit1, libstdc++6 (>= 5.2)
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 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.
Python-Version: 2.7
