软件包：autodock-vina（1.1.2-6 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-filesystem1.74.0 (>= 1.74.0)

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

• dep: libboost-program-options1.74.0 (>= 1.74.0)

  program options library for C++

• dep: libboost-thread1.74.0 (>= 1.74.0)

  portable C++ multi-threading

• dep: libc6 (>= 2.29)

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

  GCC 支持库

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

• dep: libstdc++6 (>= 5.2) [armel, armhf]

  GNU 标准 C++ 库，第3版

  dep: libstdc++6 (>= 9) [除 armel, armhf]

• 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	1.1.2-6+b1	233.0 kB	598.0 kB	[文件列表]
arm64	1.1.2-6+b1	208.8 kB	542.0 kB	[文件列表]
armel	1.1.2-6+b1	209.3 kB	536.0 kB	[文件列表]
armhf	1.1.2-6+b1	204.0 kB	408.0 kB	[文件列表]
i386	1.1.2-6+b1	236.9 kB	596.0 kB	[文件列表]
mips64el	1.1.2-6+b1	210.4 kB	657.0 kB	[文件列表]
mipsel	1.1.2-6+b1	213.7 kB	641.0 kB	[文件列表]
ppc64el	1.1.2-6+b1	234.0 kB	726.0 kB	[文件列表]
s390x	1.1.2-6+b1	207.3 kB	578.0 kB	[文件列表]