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The head project of DockingFactory is [DockingFactory Bundle](https://github.com/quantori/scip-dockingfactory-bundle). Other projects that are also parts of the bundle are:\n- [DockingFactory](https://github.com/quantori/scip-dockingfactory)\n- [DockingInterface](https://github.com/quantori/scip-dockinginterface)\n- [Vina](https://github.com/quantori/scip-vina)\n- [QVina 2](https://github.com/quantori/scip-qvina)\n- [Smina](https://github.com/quantori/scip-smina)\n\n\n## Build \n\n### BACKGROUND\n\nrDock is written in C++ and makes heavy use of the C++ Standard Template Library (STL).\nAll source code is compiled into a single shared library (libRbt.so).\nThe executables are light-weight command-line applications linked with libRbt.so.\n\nrDock should compile on the majority of Unix/Linux platforms with little or no\nmodification. However, only the following combinations have been thoroughly\ntested:\n\nopenSUSE 32 and 64 bits.\nUbuntu 32 and 64 bits.\n*  Both with compiler versions higher than 3.3.\n\n\n#### PREREQUISITES:\n\nMake sure you have the following packages installed:\n\n*  gcc\t\tGNU C compiler (or your preferred C compiler)\n*  g++\t\tGNU C++ compiler (or your preferred C++ compiler)\n*  make\n*  popt\t\tCommand-line argument processing (run-time)\n*  popt-devel\tCommand-line argument processing (compile-time)\n*  cppunit\t\tC++ unit testing framework (port of JUnit)\n*  cppunit-devel\t\tC++ unit testing framework (port of JUnit)\n\nAfter installing these dependencies, please follow the following steps:\n\n### BASIC BUILD INSTRUCTIONS:\n\n#### Step 1) BUILD\n\n* Change current directory to build folder:\n```\n$ cd rDock_2021.1_src/build\n```\nAnd run, either:\n\n```\n$ make linux-g++           #for 32-bit build with g++ compiler\n$ make linux-g++-64        #for 64-bit build with g++ compiler\n```\n\nIf wish to use a different compiler/architecture combination, or if you wish to\nchange the compiler flags, see below.\n\nThe built libraries and executables are copied to their run-time locations\n(../lib and ../bin) as part of Step 1.\n\n#### Step 2) TEST\n\n```\n$ make test                #Runs rDock unit tests\n```\n\nIf the test has succeed, you are done, enjoy using rDock!\nOtherwise, please check your dependencies and all the previous commands or go to \nSupport Section in the webpage (http://rdock.sourceforge.net) to ask for help.\n\n#### Step 3) INSTALL\n\nYou can either run rDock directly from the build location initial testing), or \ninstall the binaries and data files to a new location.\n\nSet the necessary environmental variables for running rDock in the command line.\n(for example, in a bash shell):\n\n```\n$ export RBT_ROOT=/path/to/rDock/installation/\n$ export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$RBT_ROOT/lib\n$ export PATH=$PATH:$RBT_ROOT/bin\n```\n\n#### OTHER MAKE TARGETS\n\n`make src_dist` \t\tCreates source distribution\n\n`make clean`              Removes all intermediate build files\n\n`make distclean`         Also removes installed libs and exes in ../lib and ../bin\n\n\n## License\n\nrDock is released under [GNU Lesser General Public License, Version 3](license.txt)\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fquantori%2Fscip-rdock","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fquantori%2Fscip-rdock","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fquantori%2Fscip-rdock/lists"}