AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. To install AutoDock, download the Windows installer (download page) and run it. By default, the programs will be installed in the Program Files directory (i.e. C: Program Files The Scripps Research Institute Autodock).
VinaSH: Improved Autodock Vina that accounts for Sigma Hole interactions.
Citation: If you you use vinaSH. Please cite the following manuscript.'S---O, S---N sulfur bonding interactions in Protein-Ligand Complexes: Empirical Considerations and Scoring Function” Journal of chemical Information and modeling, 2016, 56 (12), pp 2298–2309
![How To Install Autodock Vina In Windows How To Install Autodock Vina In Windows](/uploads/1/2/6/2/126241475/148519746.png)
VinaSH Installation Instructions:
- Download VinaSH from https://github.com/ssirimulla/vinaSH or from http://www.sirimullaresearchgroup.com/software.html
- Save the VinaSH directory in file system at a location of your choosing.WindowsCompatibilityVinaSH is expected to work on Windows XP and newer systems.InstallingDownload the vinaSH.exe from the Windows folder into the desired locationRunningOpen the Command Prompt and go to the folder where you downloaded the executable and run vinaSH.exe --helpLinuxCompatibilityVinaSH is expected to work on x86 and compatible 64-bit Linux systems.InstallingDownload the executable file in the linux folder to the desired locationRunningIn a terminal window, go to where you downloaded the executable and run./vinaSH --helpIf you get a permissions denied message, use the command: chmod +x vinaSHAlternatively, before downloading the executable, you can go to the directory you wish to work and use the command git clone https://github.com/ssirimulla/vinaSH.gitThen navigate to the linux folder and run ./vinaSH --helpMacCompatibilityVinaSH is expected to work on Mac OS X 10.6 (Snow Leopard) through 10.10 (Yosemite) Intel machines.InstallingDownload the executable file in the mac folder to the desired locationRunningIn a terminal window, go to where you downloaded the executable and run./vinaSH --helpIf you get a permissions denied message, use the command: chmod +x vinaSHAlternatively, before downloading the executable, you can go to the directory you wish to work and use the command git clone https://github.com/ssirimulla/vinaSH.gitThen navigate to the mac folder and run ./vinaSH --helpBuilding from sourceStep 1: Install a C++ compiler suiteOn Windows, you may want to install Visual Studio; on OS X, Xcode; and on Linux, the GCC compiler suite.
Step 2: Install BoostInstall Boost. (Version 1.57.0 was used to compile the official binaries. With other versions, your luck may vary)
Step 3: Build VinaIf you are using Visual Studio, you may want to look at this tutorial for compiling: https://sites.google.com/site/mkoohim/stories/how-can-compile-autodock-vina-in-visual-studio. For optimal performance, remember to compile using the Release mode.On OS X and Linux, you may want to navigate to the appropriate build subdirectory, customize the Makefile by setting the paths and the Boost version, and then type: make dependAnd then type: make3) VinaSH needs supporting visualization programs for preparation and viewing of molecules. These can be downloaded from any compatible 3rd party:a. Some examples are given belowMGL Tools (http://mgltools.scripps.edu/downloads)Pymol (https://www.pymol.org/)4) Once VinaSH and associated programs are downloaded you are ready to start preparing files to run5) This program is very similar to the base program AutoDock Vina, for any further information needed please refer to the Scripps Research Institute manual for AutoDock Vina.http://vina.scripps.edu/manual.html
Instalar autodock-vina
Para instalar autodock-vina no Ubuntu 16.04 (Xenial Xerus) você precisa executar os seguintes comandos no terminal:
Informações do pacote autodock-vina
distro | Ubuntu 16.04 (Xenial Xerus) |
---|---|
seção | Universe |
nome | autodock-vina |
versão | 1.1.2-3build2 |
descrição | docking of small molecules to proteins |
subseção | science |
site | vina.scripps.edu |
responsável | Ubuntu Developers |
More information about apt-get install
Advanced Package Tool, or APT, is a free software user interface that works with core libraries to handle the installation and removal of software on Debian, Ubuntu and other Linux distributions. APT simplifies the process of managing software on Unix-like computer systems by automating the retrieval, configuration and installation of software packages, either from precompiled files or by compiling source code.
![Install Install](https://i.ytimg.com/vi/4qFUFkC69e8/maxresdefault.jpg)
apt-get is the command-line tool for handling packages, and may be considered the user's 'back-end' to other tools using the APT library.
apt-get install is followed by one or more packages desired for installation or upgrading. Each package is a package name, not a fully qualified filename. All packages required by the package(s) specified for installation will also be retrieved and installed. The /etc/apt/sources.list file is used to locate the desired packages. If a hyphen is appended to the package name (with no intervening space), the identified package will be removed if it is installed. Similarly a plus sign can be used to designate a package to install. These latter features may be used to override decisions made by apt-get's conflict resolution system.