RifDock Library for Conformational Search
Ideally RifDock should be merged into Rosetta, but no one has stepped up to this herculean task yet.
Building
RifDock links against Rosetta. While RifDock may be compatible with the bleeding edge version of Rosetta, the last known-good build can be found on the following branch:
Last known-good Rosetta branch: bcov/stable1
To build RifDock:
Optain a copy of gcc with version >= 5.0
Install boost version 1.65 or later.
Build a Rosetta cxx11_omp build with:
cd rosetta/main/source
git checkout bcov/stable1
CXX=/my/g++/version CC=/my/gcc/version ./ninja_build cxx11_omp -t rosetta_scripts -remake Clone this repository and perform:
cd rifdock
mkdir build
cd build
CXX=/my/g++/version CC=/my/gcc/version CMAKE_ROSETTA_PATH=/Path/to/a/rosetta/main cmake .. -DCMAKE_BUILD_TYPE=Release
make -j3 rif_dock_test rifgen There is an optional CMAKE flag if you do did not link against the standard cxx11_omp build to specify which build you did use. That flag is as follows:
CMAKE_FINAL_ROSETTA_PATH=/Path/to/a/rosetta/main/source/cmake/build_my_custom_build_type Use this flag in addition to the CMAKE_ROSETTA_PATH flag.
Unit tests may be built with:
make test_libscheme Running
The executables for RifDock are built at:
rifdock/build/apps/rosetta/rifgen
rifdock/build/apps/rosetta/rif_dock_test The unit test executable is at:
rifdock/build/schemelib/test/test_libscheme Modifying
RifDock is licenced under the Apache 2 License which can be found at rifdock/LICENSE.