This is an R interface to allow calling Autodock Vina from whithin R. The package compile Vina and its dependencies upon installation
In R console, type:
library(devtools)
install_github(repo="ahmohamed/autodockr")
You can download the package from github and use commandline to install the package using:
R CMD INSTALL autodockr
Currently there is a single function vina
that accepts file paths for target proteins and ligands in PDBQT format. You can test run by:
library(autodockr)
example(vina)