Paketti: postgresql-13-rdkit (202009.4-1)

Links for postgresql-13-rdkit

Debian-palvelut:

Imuroi lähdekoodipaketti rdkit:

Ylläpitäjät:

External Resources:

Kotisivu [www.rdkit.org]

Samankaltaisia paketteja:

Cheminformatics and machine-learning software (PostgreSQL Cartridge)

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 PostgreSQL extension.

Muut pakettiin postgresql-13-rdkit liittyvät paketit

depends

recommends

suggests

enhances

dep: libc6 (>= 2.14) [amd64]

GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb

dep: libc6 (>= 2.17) [arm64, ppc64el]

dep: libc6 (>= 2.4) [ei amd64, arm64, ppc64el]
dep: libgcc-s1 (>= 3.0) [ei armel, armhf]

GCC:n apukirjasto

dep: libgcc-s1 (>= 3.5) [armel, armhf]
dep: librdkit1

Collection of cheminformatics and machine-learning software (shared libraries)
dep: libstdc++6 (>= 5.2)

GNU standardi C++ -kirjasto, versio 3
dep: postgresql-13

The World's Most Advanced Open Source Relational Database

Imuroi postgresql-13-rdkit

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
amd64	341.9 kt	823.0 kt	[tiedostoluettelo]
arm64	333.3 kt	809.0 kt	[tiedostoluettelo]
armel	328.3 kt	801.0 kt	[tiedostoluettelo]
armhf	329.5 kt	743.0 kt	[tiedostoluettelo]
i386	348.7 kt	833.0 kt	[tiedostoluettelo]
mips64el	331.8 kt	838.0 kt	[tiedostoluettelo]
mipsel	333.3 kt	834.0 kt	[tiedostoluettelo]
ppc64el	345.4 kt	932.0 kt	[tiedostoluettelo]
s390x	354.4 kt	861.0 kt	[tiedostoluettelo]