Paketti: librdkit1 (202009.4-1)

Links for librdkit1

Debian-palvelut:

Imuroi lähdekoodipaketti rdkit:

Ylläpitäjät:

External Resources:

Kotisivu [www.rdkit.org]

Samankaltaisia paketteja:

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.

Tagit: Role: Shared Library

Muut pakettiin librdkit1 liittyvät paketit

depends

recommends

suggests

enhances

dep: libboost-iostreams1.74.0 (>= 1.74.0)

Boost.Iostreams -kirjasto
dep: libboost-python1.74.0 (>= 1.74.0)

Boost.Python Library
dep: libboost-python1.74.0-py39

näennäispaketti, jonka toteuttaa libboost-python1.74.0
dep: libboost-serialization1.74.0 (>= 1.74.0)

serialization library for C++
dep: libc6 (>= 2.29)

GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libcoordgen1 (>= 1.4.2)

2D coordinate generation for chemical compounds
dep: libfreetype6 (>= 2.2.1)

FreeType 2 font engine, shared library files
dep: libgcc-s1 (>= 3.0) [arm64, ppc64el, s390x]

GCC:n apukirjasto

dep: libgcc-s1 (>= 3.4) [amd64, mips64el]

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

dep: libgcc-s1 (>= 4.2) [i386, mipsel]
dep: libmaeparser1 (>= 1.2.4)

parser for Schrödinger Maestro files
dep: libpython3.9 (>= 3.9.0~b4)

Shared Python runtime library (version 3.9)
dep: libstdc++6 (>= 10.2) [armel]

GNU standardi C++ -kirjasto, versio 3

dep: libstdc++6 (>= 9) [ei armel]

Imuroi librdkit1

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
amd64	3,445.3 kt	15,739.0 kt	[tiedostoluettelo]
arm64	2,999.8 kt	14,565.0 kt	[tiedostoluettelo]
armel	2,881.0 kt	13,425.0 kt	[tiedostoluettelo]
armhf	2,924.8 kt	10,577.0 kt	[tiedostoluettelo]
i386	3,561.3 kt	15,541.0 kt	[tiedostoluettelo]
mips64el	2,850.8 kt	17,469.0 kt	[tiedostoluettelo]
mipsel	2,857.4 kt	16,210.0 kt	[tiedostoluettelo]
ppc64el	3,399.9 kt	19,768.0 kt	[tiedostoluettelo]
s390x	3,049.8 kt	15,627.0 kt	[tiedostoluettelo]