Paketti: librdkit1 (202109.2-1build1)

Links for librdkit1

Trisquel-palvelut:

Imuroi lähdekoodipaketti rdkit:

Ylläpitäjä:

Debichem Team (Mail Archive)

Original Maintainers:

Debichem Team (Mail Archive)
Michael Banck

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.

Muut pakettiin librdkit1 liittyvät paketit

depends

recommends

suggests

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

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

Boost.Python Library
dep: libboost-serialization1.74.0 (>= 1.74.0)

serialization library for C++
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libcairo2 (>= 1.4.10)

Cairo 2D vector graphics library
dep: libcoordgen3 (>= 3.0.0)

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]

GCC support library

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

dep: libgcc-s1 (>= 3.5) [armhf]
dep: libmaeparser1 (>= 1.2.4)

parser for Schrödinger Maestro files
dep: libpython3.10 (>= 3.10.0)

Shared Python runtime library (version 3.10)
dep: libstdc++6 (>= 11)

GNU Standard C++ Library v3

Imuroi librdkit1

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
amd64	4,092.4 kt	17342 kt	[tiedostoluettelo]
arm64	3,775.8 kt	15825 kt	[tiedostoluettelo]
armhf	3,601.8 kt	11527 kt	[tiedostoluettelo]
ppc64el	4,585.3 kt	22473 kt	[tiedostoluettelo]

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