Paket: librdkit1 (201603.5+dfsg-1ubuntu1)

librdkit1 için bağlantılar

Trisquel Kaynakları:

rdkit Kaynak Paketini İndir:

Geliştirici:

Ubuntu Developers (Posta Arşivi)

Original Maintainers:

Debichem Team (Posta Arşivi)
Michael Banck

Dış Kaynaklar:

Ana Sayfa [www.rdkit.org]

Benzer paketler:

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 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.

This package contains the shared libraries.

librdkit1 ile İlgili Diğer Paketler

bağımlılıklar

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önerilen

dep: libboost-python1.65.1

Boost.Python Library
dep: libboost-regex1.65.1

regular expression library for C++
dep: libboost-serialization1.65.1

serialization library for C++
dep: libboost-system1.65.1

Operating system (e.g. diagnostics support) library
dep: libboost-thread1.65.1

portable C++ multi-threading
dep: libc6 (>= 2.14)

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
dep: libgcc1 (>= 1:3.0)

GCC support library
dep: libpython2.7 (>= 2.7)

Shared Python runtime library (version 2.7)
dep: libstdc++6 (>= 5.2)

GNU Standard C++ Library v3

librdkit1 indir

Tüm mevcut mimariler için indir
Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	1.965,9 kB	8449 kB	[dosya listesi]

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