Paketti: autodock-vina (1.1.2-5 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-filesystem1.67.0

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

• dep: libboost-program-options1.67.0

  program options library for C++

• dep: libboost-system1.67.0

  Operating system (e.g. diagnostics support) library

• dep: libboost-thread1.67.0

  portable C++ multi-threading

• dep: libc6 (>= 2.14) [amd64]

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

  dep: libc6 (>= 2.17) [arm64]

  dep: libc6 (>= 2.4) [armhf, i386]

• dep: libgcc1 (>= 1:3.3.1) [ei armhf]

  GCC:n apukirjasto

  dep: libgcc1 (>= 1:3.5) [armhf]

• 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
amd64	1.1.2-5+b1	226.9 kt	582.0 kt	[tiedostoluettelo]
arm64	1.1.2-5+b1	206.1 kt	530.0 kt	[tiedostoluettelo]
armhf	1.1.2-5+b1	202.4 kt	396.0 kt	[tiedostoluettelo]
i386	1.1.2-5+b1	234.1 kt	596.0 kt	[tiedostoluettelo]