Paket: librdkit1 (201603.5+dfsg-1ubuntu1)
Länkar för librdkit1
Trisquelresurser:
Hämta källkodspaketet rdkit:
- [rdkit_201603.5+dfsg-1ubuntu1.dsc]
- [rdkit_201603.5+dfsg.orig.tar.xz]
- [rdkit_201603.5+dfsg-1ubuntu1.debian.tar.xz]
Ansvarig:
Original Maintainers:
- Debichem Team (E-postarkiv)
- Michael Banck
Externa resurser:
- Hemsida [www.rdkit.org]
Liknande paket:
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.
Andra paket besläktade med librdkit1
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- 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
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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- 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)
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
Hämta librdkit1
Arkitektur | Paketstorlek | Installerad storlek | Filer |
---|---|---|---|
amd64 | 1.965,9 kbyte | 8449 kbyte | [filförteckning] |
i386 | 2.049,7 kbyte | 8513 kbyte | [filförteckning] |