deb_control_files:
- control
- md5sums
- shlibs
- triggers
deb_fields:
Architecture: amd64
Breaks: librdkit1 (<< 202309.3-7)
Depends: libboost-iostreams1.83.0 (>= 1.83.0), libboost-python1.83.0 (>= 1.83.0),
libboost-python1.83.0-py312, libboost-serialization1.83.0 (>= 1.83.0), libc6 (>=
2.38), libcairo2 (>= 1.4.10), libcoordgen3 (>= 3.0.2), libfreetype6 (>= 2.2.1),
libgcc-s1 (>= 3.4), libinchi1.07 (>= 1.07.1+dfsg), libmaeparser1 (>= 1.3.1), libpython3.12t64
(>= 3.12.1), libstdc++6 (>= 14)
Description: |-
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 algorithm 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.
Homepage: http://www.rdkit.org
Installed-Size: '21581'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: librdkit1t64
Priority: optional
Provides: librdkit1 (= 202309.3-7)
Replaces: librdkit1
Section: libs
Source: rdkit
Version: 202309.3-7
srcpkg_name: rdkit
srcpkg_version: 202309.3-7