Pakket: autodock-vina (1.2.5-2 en anderen)

[ Bron: 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

Andere aan autodock-vina gerelateerde pakketten

• 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-system1.83.0 (>= 1.83.0) [sparc64]

  Operating system (e.g. diagnostics support) library

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

  portable C++ multi-threading

• dep: libc6 (>= 2.34) [niet alpha, arm64, ia64, sh4, x32]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

  dep: libc6 (>= 2.37) [sh4]

  dep: libc6 (>= 2.38) [arm64, x32]

• dep: libc6.1 (>= 2.34) [alpha]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6.1-udeb

  dep: libc6.1 (>= 2.37) [ia64]

• dep: libgcc-s1 (>= 3.3.1) [amd64, arm64, i386, mips64el, ppc64, ppc64el, s390x, x32]

  GCC support bibliotheek

  dep: libgcc-s1 (>= 3.4) [alpha, riscv64, sh4, sparc64]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

  dep: libgcc-s1 (>= 4.2) [ia64]

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC support bibliotheek

• dep: libgcc-s4 (>= 4.1.1) [hppa]

  GCC support bibliotheek

• dep: libstdc++6 (>= 13.1) [niet arm64, x32]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 14) [arm64, x32]

• dep: libunwind8 [ia64]

  library to determine the call-chain of a program - runtime

• sug: autodock

  analysis of ligand binding to protein structure

• sug: autogrid

  pre-calculate binding of ligands to their receptor

autodock-vina downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
alpha (unofficial port)	1.2.5-2+b1	237,5 kB	728,0 kB	[overzicht]
amd64	1.2.5-2	261,0 kB	672,0 kB	[overzicht]
arm64	1.2.5-2+b1	235,7 kB	661,0 kB	[overzicht]
armel	1.2.5-2	239,1 kB	638,0 kB	[overzicht]
armhf	1.2.5-2	231,5 kB	474,0 kB	[overzicht]
hppa (unofficial port)	1.2.5-2	247,2 kB	638,0 kB	[overzicht]
i386	1.2.5-2	270,3 kB	698,0 kB	[overzicht]
ia64 (unofficial port)	1.2.5-2	290,5 kB	1.237,0 kB	[overzicht]
m68k (unofficial port)	1.2.5-2	232,1 kB	666,0 kB	[overzicht]
mips64el	1.2.5-2	231,3 kB	753,0 kB	[overzicht]
ppc64 (unofficial port)	1.2.5-2	262,2 kB	916,0 kB	[overzicht]
ppc64el	1.2.5-2	265,9 kB	852,0 kB	[overzicht]
riscv64	1.2.5-2	257,0 kB	576,0 kB	[overzicht]
s390x	1.2.5-2	255,1 kB	680,0 kB	[overzicht]
sh4 (unofficial port)	1.2.5-2	265,7 kB	659,0 kB	[overzicht]
sparc64 (unofficial port)	1.2.5-2	217,1 kB	2.140,0 kB	[overzicht]
x32 (unofficial port)	1.2.5-2+b1	259,9 kB	639,0 kB	[overzicht]