Пакет: librdkit1 (201603.5+dfsg-1ubuntu1)

Връзки за librdkit1

Ресурси за Trisquel:

Изтегляне на пакет-източник rdkit.

Отговорник:

Ubuntu Developers (Пощенски архив)

Original Maintainers:

Debichem Team (Пощенски архив)
Michael Banck

Външни препратки:

Начална страница [www.rdkit.org]

Подобни пакети:

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.

Други пакети, свързани с librdkit1

зависимости

препоръчани

предложени

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) [amd64]

GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb

dep: libc6 (>= 2.4) [i386]
dep: libgcc1 (>= 1:3.0) [amd64]

GCC support library

dep: libgcc1 (>= 1:4.2) [i386]
dep: libpython2.7 (>= 2.7)

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

GNU Standard C++ Library v3

Изтегляне на librdkit1

Изтегляне за всички налични архитектури
Архитектура	Големина на пакета	Големина след инсталиране	Файлове
amd64	1 965,9 кБ	8449 кБ	[списък на файловете]
i386	2 049,7 кБ	8513 кБ	[списък на файловете]

Sections