Paket: autodock-vina (1.2.5-2 och andra) [debports]

[ Källkod:  ]

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

Andra paket besläktade med autodock-vina

• dep: libboost-filesystem1.83.0 (>= 1.83.0)

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

• dep: libboost-program-options1.83.0 (>= 1.83.0)

  program options library for C++

• dep: libboost-thread1.83.0 (>= 1.83.0)

  portable C++ multi-threading

• dep: libc6.1 (>= 2.34)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6.1-udeb

• dep: libgcc-s1 (>= 3.4)

  GCC stödbibliotek

• dep: libstdc++6 (>= 13.1)

  GNU standardbibliotek v3 för C++

• sug: autodock

  analysis of ligand binding to protein structure

• sug: autogrid

  pre-calculate binding of ligands to their receptor

Hämta autodock-vina

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
alpha (inofficiell anpassning)	1.2.5-2+b1	237,5 kbyte	728,0 kbyte	[filförteckning]