RxDock is written in C++ (with a small amount of C code from Numerical Recipes) and makes heavy use of the C++ Standard Template Library (STL). The majority of the source code is compiled into a single shared library ( The executable programs themselves are relatively light-weight command-line applications linked with

The tmake build systems (from Trolltech) is used to generate makefiles automatically for a particular build target (i.e. combination of operating system and compiler). The source distribution comes with tmake templates defining the compiler options and flags for three Linux build targets (linux-g++ and linux-g++-64). The build targets have been tested under openSUSE 11.3 ( kernel) with GNU g++ (versions 3.3.4, 4.5.0, and 4.7.2).

Table 3 Standard tmake build targets provided

Target Name



Compiler flags (release build)




-m32 -O3 -ffast-math




-m64 -O3 -ffast-math

Customising the tmake template for a build target

If none of the tmake templates are suitable for your machine, or if you wish to customise the compiler options, you should first customise one of the existing templates. The tmake template files are stored under [RBT_ROOT]/build/tmakelib/. Locate and edit the tmake.conf file for the build target you wish to customise. For example, to customise the linux-g++ build target, edit [RBT_ROOT]/build/tmakelib/linux-g++/tmake.conf and localise the values to suit your compiler.

Build procedure

To build RxDock, first go to the [RBT_ROOT]/build/ directory.

$ cd [RBT_ROOT]/build


Make one of the build targets listed below.

$ make linux-g++
$ make linux-g++-64


Run the RxDock unit tests to check build integrity. If no failed tests are reported you should be all set.

$ make test

Cleanup (optional)

To remove all intermediate build files from [RBT_ROOT]/build/, leaving just the final executables (in [RBT_ROOT]/bin/) and shared libraries (in [RBT_ROOT]/lib/):

$ make clean

To remove the final executables and shared libraries as well, returning to a source-only distribution:

$ make distclean