套件：autodock-vina（1.2.5-2 以及其他的）

[ 原始碼： 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

其他與 autodock-vina 有關的套件

• 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 (>= 2.34) [除 arm64]

  GNU C 函式庫：共用函式庫
  同時作為一個虛擬套件由這些套件填實： libc6-udeb

  dep: libc6 (>= 2.38) [arm64]

• dep: libgcc-s1 (>= 3.3.1) [除 armel, armhf, riscv64]

  GCC 支援函式庫

  dep: libgcc-s1 (>= 3.4) [riscv64]

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

• dep: libstdc++6 (>= 13.1) [除 arm64]

  GNU Standard C++ Library v3

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

• sug: autodock

  analysis of ligand binding to protein structure

• sug: autogrid

  pre-calculate binding of ligands to their receptor

下載 autodock-vina

下載可用於所有硬體架構的

硬體架構	版本	套件大小	安裝後大小	檔案
amd64	1.2.5-2	261。0 kB	672。0 kB	[檔案列表]
arm64	1.2.5-2+b1	235。7 kB	661。0 kB	[檔案列表]
armel	1.2.5-2	239。1 kB	638。0 kB	[檔案列表]
armhf	1.2.5-2	231。5 kB	474。0 kB	[檔案列表]
i386	1.2.5-2	270。3 kB	698。0 kB	[檔案列表]
mips64el	1.2.5-2	231。3 kB	753。0 kB	[檔案列表]
ppc64el	1.2.5-2	265。9 kB	852。0 kB	[檔案列表]
riscv64	1.2.5-2	257。0 kB	576。0 kB	[檔案列表]
s390x	1.2.5-2	255。1 kB	680。0 kB	[檔案列表]