# Set of programs to convert UNRES xdrf format (compressed Cartesian coordinates) to PDF # or raw-Cartesian format (*.x) or to extract backbone angular coordinates (*.ang) # The pdb files can be constructed from canonical or MREMD trajectories. # # The xdrf library is required # # Programs # # xdrf2pdb : converts a single cx trajectory file to PDB format # xdrf2x : converts a single cx trajectory file to raw-coordinate (x) format # xdrf2ang : extracts backbone angles from a cx trajectory file # xdrf2pdb-m : converts a selected trajectory of a MREMD run dumpend into a cx file to PDB format # # xdrf2pdb1 : converts conformation(s) selected from a wham post-processing run into PDB format # xdrf2x1 : converts conformation(s) selected from a wham post-processing run into raw (x) format. # # 9/23/2010 A. Liwo # # CMake file by D. Jagieła # set(UNRES_XDRF_XDRF2PDB_SRC-M xdrf2pdb.F geomout.F misc.f rescode.f nazwy.f ) set(UNRES_XDRF_XDRF2PDB-M_SRC-M xdrf2pdb-m.F geomout.F misc.f rescode.f nazwy.f ) set(UNRES_XDRF_PP_SRC-M geomout.F xdrf2pdb.F xdrf2pdb-m.F xdrf2x.F ) set(CPPFLAGS "PROCOR -DUNRES -DMP -DMPI -DSPLITELE -DNEWUNRES" ) #========================================= # System specific flags #========================================= if(${CMAKE_SYSTEM_NAME} MATCHES "Linux") set(CPPFLAGS "${CPPFLAGS} -DLINUX") endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux") # Apply preprocesor flags to *.F files set_property(SOURCE ${UNRES_XDRF_PP_SRC-M} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} ) #========================================= # Build the binaries #========================================= add_executable(UNRES_XDRF2PDB_BIN-M ${UNRES_XDRF_XDRF2PDB_SRC-M} ) target_link_libraries(UNRES_XDRF2PDB_BIN-M xdrf ) set_target_properties(UNRES_XDRF2PDB_BIN-M PROPERTIES OUTPUT_NAME xdrf2pdb-mult ) set_property(TARGET UNRES_XDRF2PDB_BIN-M PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin ) add_executable(UNRES_XDRF2PDBM_BIN-M ${UNRES_XDRF_XDRF2PDB-M_SRC-M} ) target_link_libraries( UNRES_XDRF2PDBM_BIN-M xdrf ) set_target_properties(UNRES_XDRF2PDBM_BIN-M PROPERTIES OUTPUT_NAME xdrf2pdb-m-mult ) set_property(TARGET UNRES_XDRF2PDBM_BIN-M PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin ) #========================================= # Install Path #========================================= install(TARGETS UNRES_XDRF2PDB_BIN-M DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb) install(TARGETS UNRES_XDRF2PDBM_BIN-M DESTINATION ${CMAKE_INSTALL_PREFIX}/xdrfpdb)