Skip to content
Sections
>> Trisquel >> Пакети >> etiona >> python >> python-chemfp
etiona  ]
[ Източник: chemfp  ]

Пакет: python-chemfp (1.1p1-2.1)

cheminformatics fingerprints file formats and tools

Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets.

It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format.

Besides Python modules, it provides the following tools:

 * sdf2fps - Extract fingerprint data from SD tags
 * ob2fps - Use OpenBabel to generate fingerprints from structures
 * rdkit2fps - Use RDKit to generate fingerprints from structures
 * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures
 * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches
   between two FPS files

Други пакети, свързани с python-chemfp

  • зависимости
  • препоръчани
  • предложени
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    също и виртуален пакет, предлаган от libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libgomp1 (>= 4.9)
    GCC OpenMP (GOMP) support library
  • dep: python (<< 2.8)
    interactive high-level object-oriented language (default version)
    dep: python (>= 2.7)
  • rec: python-openbabel
    Chemical toolbox library (python bindings)
  • rec: python-rdkit
    Collection of cheminformatics and machine-learning software

Изтегляне на python-chemfp

Изтегляне за всички налични архитектури
Архитектура Големина на пакета Големина след инсталиране Файлове
amd64 155,7 кБ793 кБ [списък на файловете]
i386 157,8 кБ803 кБ [списък на файловете]