软件包：autodock-vina（1.2.5-2 以及其他的）

[ 源代码： 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

其他与 autodock-vina 有关的软件包

• 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 语言运行库：共享库
  同时作为一个虚包由这些包填实： libc6-udeb

  dep: libc6 (>= 2.38) [arm64]

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

  GCC 支持库

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

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

• dep: libstdc++6 (>= 13.1) [除 arm64]

  GNU 标准 C++ 库，第3版

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

• sug: autodock

  analysis of ligand binding to protein structure

• sug: autogrid

  pre-calculate binding of ligands to their receptor

下载 autodock-vina

下载可用于所有硬件架构的

硬件架构	版本	软件包大小	安装后大小	文件
amd64	1.2.5-2	261.0 kB	672.0 kB	[文件列表]
arm64	1.2.5-2+b1	235.7 kB	661.0 kB	[文件列表]
armel	1.2.5-2	239.1 kB	638.0 kB	[文件列表]
armhf	1.2.5-2	231.5 kB	474.0 kB	[文件列表]
i386	1.2.5-2	270.3 kB	698.0 kB	[文件列表]
mips64el	1.2.5-2	231.3 kB	753.0 kB	[文件列表]
ppc64el	1.2.5-2	265.9 kB	852.0 kB	[文件列表]
riscv64	1.2.5-2	257.0 kB	576.0 kB	[文件列表]
s390x	1.2.5-2	255.1 kB	680.0 kB	[文件列表]