AutoDock Vina
Switch branches/tags
Nothing to show
Clone or download
Pull request Compare This branch is 5 commits ahead, 14 commits behind Ashod:master.
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
build fix Debug build May 7, 2013
src clean up May 7, 2013
LICENSE initial commit, v. 1.1.2 Nov 28, 2012
readme readme file May 6, 2013

readme

AutoDock Vina
=============

AutoDock Vina is an open-source program for doing molecular docking. It was been designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab at The Scripps Research Institute. 


Building from Source
--------------------
Attention: Building Vina from source is NOT meant to be done by regular users!
Step 1: Install a C++ compiler suite
On Windows, you may want to install Visual Studio; on OS X, Xcode; and on Linux, the GCC compiler suite.
Step 2: Install Boost
Install Boost. (Version 1.41.0 was used to compile the official binaries. With other versions, your luck may vary) Then, build and run one of the example programs, such as the Regex example, to confirm that you have completed this step. If you can't do this, please seek help from the Boost community.
Step 3: Build Vina
If you are using Visual Studio, you may want to create three projects: lib, main and split, with the source code from the appropriate subdirectories. lib must be a library, that the other projects depend on, and main and split must be console applications. 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 depend
    make