Paketti: autodock-vina (1.1.2-6 ja muut)

[ Source: autodock-vina  ]

docking of small molecules to proteins

AutoDock Vina is a program to support drug discovery, molecular docking and virtual screening of compound libraries. It offers multi-core capability, high performance and enhanced accuracy and ease of use.

The same institute also developed autodock, which is widely used.

O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461

Muut pakettiin autodock-vina liittyvät paketit

• dep: libboost-filesystem1.74.0 (>= 1.74.0)

  filesystem operations (portable paths, iteration over directories, etc) in C++

• dep: libboost-program-options1.74.0 (>= 1.74.0)

  program options library for C++

• dep: libboost-thread1.74.0 (>= 1.74.0)

  portable C++ multi-threading

• dep: libc6 (>= 2.29)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libgcc-s1 (>= 3.5)

  GCC:n apukirjasto

• dep: libstdc++6 (>= 5.2)

  GNU standardi C++ -kirjasto, versio 3

• sug: autodock

  analysis of ligand binding to protein structure

• sug: autogrid

  pre-calculate binding of ligands to their receptor

Imuroi autodock-vina

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Versio	Paketin koko	Koko asennettuna	Tiedostot
armel	1.1.2-6+b1	209.3 kt	536.0 kt	[tiedostoluettelo]