Quick and dirty installation¶
In this section you will have short instructions to make a typical installation of rDock.
To get the full documentation of all rDock software package and methods, please go to the Reference guide.
Moreover, you can also check the following information:
Getting started: installation and validation instructions for first-time users.
Validation experiments: instructions and examples for re-running the validation sets we have carried out.
Calculating ROC curves: tutorial for generating ROC curves and other statistics after running rDock docking jobs.
Installation in 3 steps¶
We have been able to compile rDock in the following Linux systems:
CentOS 5.5 64 bits
openSUSE 11.3 32 and 64 bits
openSUSE 12.3 32 and 64 bits
openSUSE 13.1 32 and 64 bits
Ubuntu 12.04 32 and 64 bits
First of all, you will need to install several packages before compiling and running rDock:
gcc and g++ compilers version > 3.3
cppunit and cppunit-devel
For Ubuntu users:
If you are trying to use rDock in Ubuntu, please note that csh shell is not
included in a default installation. We recommend to install csh in case some
error arises (
sudo apt-get install csh), even with all the above-stated
Afterwards, download the source code compressed file or get it by SVN in Downloads section.
Then, run the following commands:
$ tar -xvzf rDock_2013.1_src.tar.gz $ cd rDock_2013.1_src/build/
and, for 32 bits computers:
$ make linux-g++
for 64 bits computers:
$ make linux-g++-64
After compiling successfully, type the following command to make a test and check that your compiled version works good and the results are correct.
$ make test
If the test has succeed, you are done, enjoy using rDock!
Otherwise, please check your dependencies and all the previous commands or go to Support Section to ask for help.
Just as a concluding remark, don’t forget to set the necessary environmental variables for running rDock in the command line (for example, in Bash shell):
$ export RBT_ROOT=/path/to/rDock/installation/ $ export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$RBT_ROOT/lib $ export PATH=$PATH:$RBT_ROOT/bin